SCHEMBL10229657

SCHEMBL10229657

Fc1ccc(-n2c(Cc3ccc(F)c(F)c3)nnc2SCc2c(F)cccc2Cl)cc1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 7/20 0.66
SMN1; SMN2 Q16637 4/20 0.54
HTT P42858 3/20 0.54
ALDH1A1 P00352 1/20 0.54
LMNA P02545 1/20 0.54
MAPT P10636 1/20 0.54
NPSR1 Q6W5P4 2/20 0.48
RECQL P46063 1/20 0.48
HPGD P15428 1/20 0.46
RAB9A P51151 1/20 0.46
HSD11B1 P28845 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PTGS2 P35354 1/20 0.43

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
SCHEMBL10229772 0.94 GPBAR1 (0.66) GPBAR1SMN1; SMN2HTTALDH1A1LMNA
SCHEMBL10229666 0.94 GPBAR1 (0.66) GPBAR1SMN1; SMN2HTTALDH1A1LMNA
SCHEMBL10229675 0.93 GPBAR1 (0.66) GPBAR1SMN1; SMN2HTTALDH1A1LMNA
SCHEMBL10229638 0.92 GPBAR1 (0.66) GPBAR1SMN1; SMN2HTTALDH1A1LMNA
SCHEMBL10229737 0.92 GPBAR1 (0.62) GPBAR1SMN1; SMN2HTTALDH1A1LMNA
SCHEMBL10229632 0.87 GPBAR1 (0.88) GPBAR1SMN1; SMN2HTTALDH1A1LMNA
SCHEMBL13259966 0.85 GPBAR1 (0.59) GPBAR1SMN1; SMN2HTTALDH1A1LMNA
SCHEMBL10229649 0.85 GPBAR1 (0.53) GPBAR1SMN1; SMN2HTTALDH1A1LMNA
SCHEMBL10229716 0.79 GPBAR1 (0.54) GPBAR1SMN1; SMN2HTTALDH1A1LMNA
SCHEMBL10229792 0.79 GPBAR1 (0.54) GPBAR1SMN1; SMN2HTTALDH1A1LMNA

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 5 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
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
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 8/4885SMN1; SMN2 4789/4885HTT 3724/4885

“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.