SCHEMBL973987

SCHEMBL973987

Cc1csc(N2CCC(NC(=O)C#Cc3ccc(C(F)(F)F)cc3)C2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD3 Q9NY59 1/20 0.43
KMT2A Q03164 1/20 0.40
FPR1 P21462 1/20 0.39
FPR2 P25090 1/20 0.39
MCHR1 Q99705 2/20 0.38
TRPV1 Q8NER1 2/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
PDE2A O00408 2/20 0.38
USP30 Q70CQ3 1/20 0.37
OXTR P30559 1/20 0.37
EPHX2 P34913 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
SYK P43405 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 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
SCHEMBL4701765 0.94 EPHX2 (0.40) SMPD3TRPV1OXTREPHX2
SCHEMBL973350 0.91 SMPD3 (0.38) SMPD3FPR1FPR2MCHR1TRPV1
SCHEMBL973612 0.90 SMPD3 (0.41) SMPD3
SCHEMBL974804 0.89 SMN1; SMN2 (0.41) SMPD3KMT2A
SCHEMBL974382 0.89 GRM5 (0.42) SMPD3KMT2AEPHX2SYK
SCHEMBL973545 0.88 BTK (0.45) SMPD3USP30
SCHEMBL972550 0.87 SMPD3 (0.43) SMPD3KMT2AMCHR1TRPV1TRPM8
SCHEMBL973526 0.86 SMPD3 (0.40) SMPD3KMT2ASYK
SCHEMBL971879 0.86 NAAA (0.46) SMPD3
SCHEMBL971914 0.84 BTK (0.38) 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 SMPD3 3009/4885KMT2A 3889/4885FPR1 2046/4885

“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.