Assessment of the significance of patent-derived information for the early identification of compound-target interaction hypotheses

Journal of Cheminformatics
Stefan Senger

Abstract

Patents are an important source of information for effective decision making in drug discovery. Encouragingly, freely accessible patent-chemistry databases are now in the public domain. However, at present there is still a wide gap between relatively low coverage-high quality manually-curated data sources and high coverage data sources that use text mining and automated extraction of chemical structures. To secure much needed funding for further research and an improved infrastructure, hard evidence is required to demonstrate the significance of patent-derived information in drug discovery. Surprisingly little such evidence has been reported so far. To address this, the present study attempts to quantify the relevance of patents for formulating and substantiating hypotheses for compound-target interactions. A manually-curated set of 130 compound-target interaction pairs annotated with what are considered to be the earliest patent and publication has been produced. The analysis of this set revealed that in stark contrast to what has been reported for novel chemical structures, only about 10% of the compound-target interaction pairs could be found in publications in the scientific literature within one year of being reported in p...Continue Reading

References

Dec 31, 2005·Nucleic Acids Research·David S WishartJennifer Woolsey
Dec 1, 2010·Nucleic Acids Research·Donna MaglottTatiana Tatusova
May 3, 2011·Nature Reviews. Drug Discovery·Michel Goldman
Jun 12, 2012·Drug Discovery Today·Antony J WilliamsBarend Mons
Nov 12, 2013·Nucleic Acids Research·A Patrícia BentoJohn P Overington
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Nov 20, 2015·Nucleic Acids Research·George PapadatosJohn P Overington
May 18, 2016·Drug Discovery Today·Raul Rodriguez-Esteban, Markus Bundschus

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Citations

May 1, 2021·Journal of Chemical Information and Modeling·Maria J Falaguera, Jordi Mestres
Oct 27, 2017·Journal of Chemical Information and Modeling·Stephanie K AshendenAndreas Bender

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Software Mentioned

SciBite
Open PHACTS Foundation
Open PHACTS
Pipeline Pilot
Open PHACTS API
ChEMBL22
ChEMBL
Open PHACTS Discovery Platform
BIOVIA
SureChEMBL

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