SCHEMBL3786270

SCHEMBL3786270

CC(C)(c1ccc(Cl)c(Cl)c1)c1cnc(SCc2ccc(C(=O)NCCS(=O)(=O)O)cc2F)n1-c1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 14/20 0.51
RECQL P46063 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
PPARD Q03181 2/20 0.38
MAPK14 Q16539 1/20 0.38

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
SCHEMBL602365 0.93 GPBAR1 (0.56) GPBAR1RECQL
SCHEMBL602502 0.92 GPBAR1 (0.55) GPBAR1RECQL
SCHEMBL601693 0.90 GPBAR1 (0.55) GPBAR1RECQL
SCHEMBL604432 0.90 GPBAR1 (0.53) GPBAR1RECQLMAPK14
SCHEMBL604177 0.89 GPBAR1 (0.52) GPBAR1RECQLMAPK14
SCHEMBL602194 0.89 GPBAR1 (0.52) GPBAR1RECQLMAPK14
SCHEMBL601513 0.89 GPBAR1 (0.52) GPBAR1RECQL
SCHEMBL601514 0.89 GPBAR1 (0.52) GPBAR1RECQL
SCHEMBL601655 0.86 GPBAR1 (0.57) GPBAR1
SCHEMBL601891 0.86 GPBAR1 (0.56) GPBAR1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2396304-A1 TRIAZOLE AND IMIDAZOLE DERIVATIVES FOR USE AS TGR5 AGONISTS IN THE TREATMENT OF DIABETES AND OBESITY Exelixis, Inc. (US) 2011-12-21 EP claimed
WO-2010093845-A1 TRIAZOLE AND IMIDAZOLE DERIVATIVES FOR USE AS TGR5 AGONISTS IN THE TREATMENT OF DIABETES AND OBESITY EXELIXIS, INC. (US) 2010-08-19 WO claimed
US-8785488-B2 Triazole and imidazole derivatives for use as TGR5 agonists in the treatment of diabetes and obesity EXELIXIS PATENT COMPANY LLC (US) 2014-07-22 US disclosed
US-20120040985-A1 TRIAZOLE AND IMIDAZOLE DERIVATIVES FOR USE AS TGR5 AGONISTS IN THE TREATMENT OF DIABETES AND OBESITY EXELIXIS PATENT COMPANY LLC (US) 2012-02-16 US 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-20120040985-A1 TRIAZOLE AND IMIDAZOLE DERIVATIVES FOR USE AS TGR5 AGONISTS IN THE TREATMENT OF DIABETES AND OBESITY GPR119, GLP1R, GCGR GPBAR1 8/4885RECQL 3164/4885MRGPRX4 22/4885

“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.