SCHEMBL10274739

SCHEMBL10274739

COc1ccc(C(C)(C)c2nnc(S)n2-c2ccc(F)cc2)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 18/20 0.46
NR1H4 Q96RI1 1/20 0.41
NFE2L2 Q16236 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
SCHEMBL602692 0.90 GPBAR1 (0.42) GPBAR1NR1H4
SCHEMBL10228092 0.83 KDM4E (0.33) GPBAR1
SCHEMBL10277264 0.80 GPBAR1 (0.60) GPBAR1NR1H4
SCHEMBL14863454 0.79 GPBAR1 (0.45) GPBAR1NR1H4
SCHEMBL15587773 0.79 GPBAR1 (0.58) GPBAR1NR1H4
SCHEMBL15527782 0.77 GPBAR1 (0.50) GPBAR1NR1H4
SCHEMBL603676 0.77 ADAM17 (0.47) GPBAR1NR1H4
SCHEMBL15528001 0.76 GPBAR1 (0.56) GPBAR1NR1H4
SCHEMBL15527875 0.75 GPBAR1 (0.55) GPBAR1NR1H4
SCHEMBL13259093 0.74 KCNH2 (0.35) 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 6 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 disclosed
WO-2013164838-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR TREATMENT OF DIABETES, OBESITY OR RELATED DISORDERS CADILA HEALTHCARE LIMITED (IN) 2013-11-07 WO disclosed
WO-2013164838-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR TREATMENT OF DIABETES, OBESITY OR RELATED DISORDERS CADILA HEALTHCARE LIMITED (IN) 2013-11-07 WO 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
US-20080241102-A1 Polymeric Prodrug with a Self-Immolative Linker COMPLEX BIOSYSTEMS GMBH (DE) 2008-10-02 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 (2 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 8/4885NR1H4 53/4885NFE2L2 2710/4885
US-20080241102-A1 Polymeric Prodrug with a Self-Immolative Linker PAICS, MPI, TYMP GPBAR1 1975/4885NR1H4 2004/4885NFE2L2 4295/4885

“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.