SCHEMBL4137342

SCHEMBL4137342

CCOC(=O)C(C)c1ccc2nc(NC(=O)OC(C)(C)C)sc2c1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LCK P06239 9/20 0.55
NPC1 O15118 6/20 0.52
RAB9A P51151 6/20 0.52
SMN1; SMN2 Q16637 5/20 0.52
ALDH1A1 P00352 2/20 0.52
PTPN1 P18031 3/20 0.50
STAT1 P42224 1/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TSHR P16473 1/20 0.47
KDM4E B2RXH2 1/20 0.47
TP53 P04637 1/20 0.47
L3MBTL1 Q9Y468 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
SCHEMBL15887357 0.87 LCK (0.56) LCKNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL4128434 0.87 LCK (0.56) LCKNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4294190 0.86 RAB9A (0.66) NPC1RAB9ASMN1; SMN2ALDH1A1PTPN1
SCHEMBL4148882 0.80 ALDH1A1 (0.60) NPC1RAB9ASMN1; SMN2ALDH1A1PTPN1
SCHEMBL17090573 0.80 LCK (0.69) LCKNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL29506738 0.80 LCK (0.69) LCKNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4140464 0.79 LCK (0.49) LCK
SCHEMBL8977464 0.79 LCK (0.54) LCKNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL13799596 0.78 SMN1; SMN2 (0.49) NPC1RAB9ASMN1; SMN2ALDH1A1PTPN1
SCHEMBL2666847 0.77 DYRK1A (0.67) LCKRAB9A

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-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
CN-101679370-A Novel vanilloid receptor ligands and the use thereof for the production of pharmaceuticals GRUENENTHAL GMBH 2010-03-24 CN disclosed
EP-2137178-A2 NOVEL VANILLOID RECEPTOR LIGANDS AND THE USE THEREOF FOR THE PRODUCTION OF PHARMACEUTICALS Grünenthal GmbH (DE) 2009-12-30 EP 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
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 LCK 589/4885NPC1 693/4885RAB9A 2031/4885
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 LCK 582/4885NPC1 676/4885RAB9A 1967/4885

“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.