SCHEMBL10229673

SCHEMBL10229673

Fc1ccc(-n2c(Cc3ccc4c(c3)OCO4)nnc2SCc2ccc(F)cc2Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.48
LMNA P02545 2/20 0.48
ALPG P10696 1/20 0.48
GPBAR1 Q8TDU6 1/20 0.47
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
NPSR1 Q6W5P4 3/20 0.46
MAPK1 P28482 2/20 0.46
KDM4E B2RXH2 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
RECQL P46063 2/20 0.46
METAP2 P50579 3/20 0.46
RAB9A P51151 2/20 0.44
CLPP Q16740 1/20 0.43
POLB P06746 2/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 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
SCHEMBL13259977 0.86 GPBAR1 (0.47) HTTGPBAR1ALDH1A1SMN1; SMN2NPSR1
SCHEMBL10229731 0.86 GPBAR1 (0.51) HTTLMNAGPBAR1ALDH1A1SMN1; SMN2
SCHEMBL10229757 0.84 SMN1; SMN2 (0.54) HTTGPBAR1ALDH1A1SMN1; SMN2NPSR1
SCHEMBL13259963 0.83 GPBAR1 (0.48) HTTGPBAR1ALDH1A1SMN1; SMN2NPSR1
SCHEMBL10229660 0.82 SMN1; SMN2 (0.48) HTTLMNAGPBAR1ALDH1A1SMN1; SMN2
SCHEMBL10229785 0.81 GPBAR1 (0.70) HTTLMNAGPBAR1ALDH1A1SMN1; SMN2
SCHEMBL10229742 0.81 TP53 (0.58) HTTLMNAGPBAR1ALDH1A1SMN1; SMN2
SCHEMBL10229712 0.81 NPSR1 (0.51) HTTGPBAR1ALDH1A1SMN1; SMN2NPSR1
SCHEMBL10229629 0.80 GPBAR1 (0.64) HTTLMNAGPBAR1ALDH1A1SMN1; SMN2
SCHEMBL13259978 0.80 GPBAR1 (0.41) HTTLMNAGPBAR1ALDH1A1SMN1; SMN2

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
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

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 HTT 3724/4885LMNA 4313/4885ALPG 4689/4885

“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.