SCHEMBL4134290

SCHEMBL4134290

CC(C(=O)O)c1ccc2c(c1)NC(=O)CO2

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.56
PTGS1 P23219 1/20 0.55
PTGS2 P35354 1/20 0.55
PARP1 P09874 1/20 0.52
ALDH1A1 P00352 6/20 0.52
MAPT P10636 3/20 0.52
PKM P14618 1/20 0.52
GAA P10253 2/20 0.50
ACLY P53396 1/20 0.49
LMNA P02545 1/20 0.48
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4150146 0.89 PTGS1 (0.55) MMP12PTGS1PTGS2PARP1ALDH1A1
SCHEMBL10638229 0.88 MMP12 (0.55) MMP12PARP1ALDH1A1MAPTPKM
SCHEMBL24775966 0.84 MMP12 (0.60) MMP12PARP1ALDH1A1MAPTPKM
SCHEMBL9920485 0.84 MMP12 (0.64) MMP12PARP1ALDH1A1MAPTPKM
SCHEMBL4135845 0.83 MMP12 (0.53) MMP12PARP1ALDH1A1MAPTACLY
SCHEMBL10642405 0.83 ALDH1A1 (0.59) MMP12PARP1ALDH1A1MAPTPKM
SCHEMBL3703323 0.81 MMP12 (0.60) MMP12PARP1ALDH1A1MAPTPKM
SCHEMBL24999115 0.81 MMP12 (0.60) MMP12PARP1ALDH1A1MAPTPKM
SCHEMBL29793805 0.81 MMP12 (0.60) MMP12PARP1ALDH1A1MAPTPKM
SCHEMBL24346161 0.81 MMP12 (0.60) MMP12PARP1ALDH1A1MAPTPKM

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8785474-B2 Vanilloid receptor ligands, pharmaceutical compositions containing them, process for making them, and use thereof to treat pain and other conditions GRUENENTHAL GMBH (DE) 2014-07-22 US disclosed
US-8785474-B2 Vanilloid receptor ligands, pharmaceutical compositions containing them, process for making them, and use thereof to treat pain and other conditions GRUENENTHAL GMBH (DE) 2014-07-22 US disclosed
US-8084484-B2 Vanilloid receptor ligands, pharmaceutical compositions containing them, process for making them, and use thereof for treating pain and other conditions GRUENENTHAL GMBH (DE) 2011-12-27 US disclosed
US-8084484-B2 Vanilloid receptor ligands, pharmaceutical compositions containing them, process for making them, and use thereof for treating pain and other conditions GRUENENTHAL GMBH (DE) 2011-12-27 US disclosed
US-8084484-B2 Vanilloid receptor ligands, pharmaceutical compositions containing them, process for making them, and use thereof for treating pain and other conditions GRUENENTHAL GMBH (DE) 2011-12-27 US disclosed
US-20110301156-A1 Vanilloid Receptor Ligands, Pharmaceutical Compositions Containing Them, Process For Making Them, and Use Thereof to Treat Pain and Other Conditions GRUENENTHAL GMBH (DE) 2011-12-08 US disclosed
US-20110301156-A1 Vanilloid Receptor Ligands, Pharmaceutical Compositions Containing Them, Process For Making Them, and Use Thereof to Treat Pain and Other Conditions GRUENENTHAL GMBH (DE) 2011-12-08 US disclosed
US-20090156590-A1 Vanilloid Receptor Ligands, Pharmaceutical Compositions Containing Them, Process for Making Them, and Use Thereof for Treating Pain and Other Conditions GRUENENTHAL GMBH (DE) 2009-06-18 US disclosed
US-20090156590-A1 Vanilloid Receptor Ligands, Pharmaceutical Compositions Containing Them, Process for Making Them, and Use Thereof for Treating Pain and Other Conditions GRUENENTHAL GMBH (DE) 2009-06-18 US disclosed
US-20090156590-A1 Vanilloid Receptor Ligands, Pharmaceutical Compositions Containing Them, Process for Making Them, and Use Thereof for Treating Pain and Other Conditions GRUENENTHAL GMBH (DE) 2009-06-18 US disclosed
WO-2008125342-A2 NOVEL VANILLOID RECEPTOR LIGANDS AND THE USE THEREOF FOR THE PRODUCTION OF PHARMACEUTICALS Grünenthal GmbH (DE) 2008-10-23 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090156590-A1 Vanilloid Receptor Ligands, Pharmaceutical Compositions Containing Them, Process for Making Them, and Use Thereof for Treating Pain and Other Conditions TRPV1, OPRL1, TRPV2 MMP12 2390/4885PTGS1 137/4885PTGS2 181/4885
US-20110301156-A1 Vanilloid Receptor Ligands, Pharmaceutical Compositions Containing Them, Process For Making Them, and Use Thereof to Treat Pain and Other Conditions TRPV1, OPRL1, TRPV2 MMP12 2449/4885PTGS1 170/4885PTGS2 219/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.