SCHEMBL10229683

SCHEMBL10229683

Fc1ccc(CSc2nnc(Cc3ccc(Cl)c(Cl)c3)n2-c2ccc(F)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.58
GPBAR1 Q8TDU6 1/20 0.55
ALDH1A1 P00352 4/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
NPSR1 Q6W5P4 2/20 0.49
HTT P42858 1/20 0.49
RECQL P46063 1/20 0.49
PTGS2 P35354 1/20 0.49
TERT O14746 2/20 0.46
HSD17B10 Q99714 1/20 0.45
MAPT P10636 5/20 0.45
TP53 P04637 5/20 0.45
METAP2 P50579 1/20 0.44
TSHR P16473 1/20 0.44
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.42

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
SCHEMBL10229774 0.98 ALDH1A1 (0.55) SMN1; SMN2GPBAR1ALDH1A1MEN1KMT2A
SCHEMBL10229770 0.97 SMN1; SMN2 (0.55) SMN1; SMN2GPBAR1ALDH1A1MEN1KMT2A
SCHEMBL10229792 0.93 GPBAR1 (0.54) SMN1; SMN2GPBAR1ALDH1A1MEN1KMT2A
SCHEMBL10229716 0.93 GPBAR1 (0.54) SMN1; SMN2GPBAR1ALDH1A1MEN1KMT2A
SCHEMBL10229649 0.92 GPBAR1 (0.53) SMN1; SMN2GPBAR1ALDH1A1MEN1KMT2A
SCHEMBL10229731 0.90 GPBAR1 (0.51) SMN1; SMN2GPBAR1ALDH1A1MEN1KMT2A
SCHEMBL10229648 0.89 GPBAR1 (0.52) SMN1; SMN2GPBAR1ALDH1A1MEN1KMT2A
SCHEMBL10229712 0.88 NPSR1 (0.51) SMN1; SMN2GPBAR1ALDH1A1MEN1KMT2A
SCHEMBL10229638 0.87 GPBAR1 (0.66) SMN1; SMN2GPBAR1ALDH1A1MEN1KMT2A
SCHEMBL10229631 0.87 GPBAR1 (0.53) SMN1; SMN2GPBAR1ALDH1A1MEN1KMT2A

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 SMN1; SMN2 4789/4885GPBAR1 8/4885ALDH1A1 2105/4885

“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.