SCHEMBL603343

SCHEMBL603343

CC(C)(c1ccc(Cl)c(Cl)c1)c1cnc(S(=O)(=O)NCc2ccc(F)cc2Cl)n1-c1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 10/20 0.44
P2RX7 Q99572 7/20 0.38
AHR P35869 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
SCHEMBL605407 0.90 GPBAR1 (0.46) GPBAR1AHR
SCHEMBL604966 0.86 GPBAR1 (0.46) GPBAR1P2RX7
SCHEMBL601308 0.85 GPBAR1 (0.58) GPBAR1
SCHEMBL603723 0.84 GPBAR1 (0.44) GPBAR1
SCHEMBL604435 0.81 GPBAR1 (0.45) GPBAR1
SCHEMBL13259113 0.81 GPBAR1 (0.49) GPBAR1
SCHEMBL604646 0.79 GPBAR1 (0.50) GPBAR1
SCHEMBL602060 0.78 GPBAR1 (0.45) GPBAR1P2RX7
SCHEMBL602167 0.78 GPBAR1 (0.46) GPBAR1
SCHEMBL601828 0.78 GPBAR1 (0.44) GPBAR1

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-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 claimed
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 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-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-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
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
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
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 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 8/4885P2RX7 94/4885AHR 673/4885

“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.