SCHEMBL972332

SCHEMBL972332

Cc1cnc(N2CCC(NC(=O)C#Cc3cc(C(F)(F)F)ccc3Cl)C2)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 3/20 0.43
CCNC P24863 3/20 0.40
CDK8 P49336 3/20 0.40
TRPV1 Q8NER1 3/20 0.38
KMT2A Q03164 3/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
MEN1 O00255 2/20 0.37
POLB P06746 1/20 0.37
MAPK1 P28482 1/20 0.37
SYK P43405 1/20 0.37
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA4 P22748 2/20 0.37
CA7 P43166 2/20 0.37
CA9 Q16790 2/20 0.37
BTK Q06187 2/20 0.37
SMO Q99835 1/20 0.37
SMPD3 Q9NY59 1/20 0.36
S100A4 P26447 1/20 0.36

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
SCHEMBL974125 0.87 CRHR1 (0.43) CRHR1CCNCCDK8KMT2AMEN1
SCHEMBL973310 0.86 TRPV1 (0.41) TRPV1KMT2ATRPM8CA12CA1
SCHEMBL973526 0.85 SMPD3 (0.40) CRHR1CCNCCDK8KMT2AMEN1
SCHEMBL974677 0.85 RPS6KB1 (0.40) CDK8TRPV1KMT2ATRPM8SYK
SCHEMBL974320 0.84 GRM2 (0.39) CCNCCDK8BTKSMOSMPD3
SCHEMBL973624 0.82 CNR2 (0.38) CRHR1CCNCCDK8TRPV1KMT2A
SCHEMBL974236 0.80 BTK (0.38) CA12CA1CA2CA4CA7
SCHEMBL975872 0.80 CA12 (0.41) TRPV1TRPM8CA12CA1CA2
SCHEMBL973571 0.80 HRH3 (0.37) CA12CA1CA2CA4CA7
SCHEMBL973006 0.80 HRH3 (0.37) SMPD3

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7871999-B2 Substituted thiazoles and their use for producing drugs GRUENENTHAL GMBH (DE) 2011-01-18 US claimed
EP-1968957-B1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS GRUENENTHAL GMBH (DE) 2010-01-20 EP claimed
US-20090176756-A1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS GRUNENTHAL GMBH (DE) 2009-07-09 US claimed
WO-2007079960-A9 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS GRUENENTHAL GMBH (DE) 2008-10-23 WO claimed
US-7871999-B2 Substituted thiazoles and their use for producing drugs GRUENENTHAL GMBH (DE) 2011-01-18 US disclosed
EP-1968957-B1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS GRUENENTHAL GMBH (DE) 2010-01-20 EP disclosed
US-20090176756-A1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS GRUNENTHAL GMBH (DE) 2009-07-09 US disclosed
WO-2007079960-A9 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS GRUENENTHAL GMBH (DE) 2008-10-23 WO disclosed
EP-1968957-A1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS Grünenthal GmbH (DE) 2008-09-17 EP disclosed
WO-2007079960-A1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS Grünenthal GmbH (DE) 2007-07-19 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 (1 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-20090176756-A1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS TPMT, SLC5A2, DPP4 CRHR1 3283/4885CCNC 3890/4885CDK8 3526/4885

“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.