SCHEMBL973624

SCHEMBL973624

CC(C)(C)c1csc(N2CCC(NC(=O)C#Cc3cc(C(F)(F)F)ccc3Cl)C2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.38
CCNC P24863 6/20 0.37
CDK8 P49336 6/20 0.37
BTK Q06187 2/20 0.36
CRHR1 P34998 2/20 0.36
SMPD3 Q9NY59 1/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA4 P22748 2/20 0.34
CA7 P43166 2/20 0.34
CA9 Q16790 2/20 0.34
TRPV1 Q8NER1 2/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34

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
SCHEMBL973526 0.92 SMPD3 (0.40) CCNCCDK8BTKCRHR1SMPD3
SCHEMBL973350 0.87 SMPD3 (0.38) BTKSMPD3CA12CA1CA2
SCHEMBL974125 0.85 CRHR1 (0.43) CCNCCDK8BTKCRHR1SMPD3
SCHEMBL974418 0.85 GRM5 (0.39) CDK8BTKKMT2AMEN1CA12
SCHEMBL973431 0.85 USP30 (0.36) CNR2KMT2A
SCHEMBL972332 0.82 CRHR1 (0.43) CCNCCDK8BTKCRHR1SMPD3
SCHEMBL972003 0.82 CTSB (0.36) BTKSMPD3CA12CA1CA2
SCHEMBL973921 0.81 SMN1; SMN2 (0.38) BTKMAPK1CA12CA1CA2
SCHEMBL972665 0.81 LMNA (0.38) CNR2BTK
SCHEMBL973611 0.81 LMNA (0.37) BTK

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 CNR2 1322/4885CCNC 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.