SCHEMBL973310

SCHEMBL973310

Cc1cnc(N2CCC(NC(=O)C#Cc3ccc(C(F)(F)F)cc3)C2)s1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 5/20 0.41
KMT2A Q03164 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.41
CA12 O43570 6/20 0.40
CA1 P00915 6/20 0.40
CA2 P00918 6/20 0.40
CA4 P22748 6/20 0.40
CA7 P43166 6/20 0.40
CA9 Q16790 6/20 0.40
PDE2A O00408 4/20 0.39
SMPD3 Q9NY59 1/20 0.39
HSD11B1 P28845 1/20 0.37
USP30 Q70CQ3 1/20 0.37
PAK1 Q13153 1/20 0.37
EPHX2 P34913 1/20 0.37
SLC6A9 P48067 1/20 0.37

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
SCHEMBL974669 0.90 HRH3 (0.39) CA12CA1CA2CA4CA7
SCHEMBL974821 0.89 HRH3 (0.38) SMPD3PAK1
SCHEMBL974677 0.89 RPS6KB1 (0.40) TRPV1KMT2ATRPM8CA12CA1
SCHEMBL973812 0.89 HRH3 (0.38) SMPD3USP30
SCHEMBL973764 0.88 BTK (0.45)
SCHEMBL972332 0.86 CRHR1 (0.43) TRPV1KMT2ATRPM8CA12CA1
SCHEMBL973017 0.86 NAAA (0.46) KMT2ASMPD3PAK1
SCHEMBL972550 0.85 SMPD3 (0.43) TRPV1KMT2ATRPM8CA12CA1
SCHEMBL974706 0.84 BTK (0.38) CA12CA1CA2CA4CA7
SCHEMBL973987 0.83 SMPD3 (0.43) TRPV1KMT2ATRPM8CA12CA1

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 9 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
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 TRPV1 416/4885KMT2A 3889/4885TRPM8 365/4885

“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.