SCHEMBL10229727

SCHEMBL10229727

COc1ccc(Cc2nnc(SCc3ccc(F)cc3Cl)n2-c2ccc(F)cc2Cl)cc1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 2/20 0.58
SMN1; SMN2 Q16637 3/20 0.44
RAB9A P51151 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TSHR P16473 3/20 0.43
TP53 P04637 3/20 0.42
MAPT P10636 2/20 0.42
THRB P10828 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.40
NPC1 O15118 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TLR8 Q9NR97 1/20 0.38

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
SCHEMBL10229785 0.91 GPBAR1 (0.70) GPBAR1SMN1; SMN2RAB9AKDM4ETSHR
SCHEMBL10229781 0.86 GPBAR1 (0.62) GPBAR1SMN1; SMN2RAB9AKDM4ETSHR
SCHEMBL10229629 0.84 GPBAR1 (0.64) GPBAR1SMN1; SMN2RAB9AKDM4ETP53
SCHEMBL10229645 0.81 GPBAR1 (0.70) GPBAR1SMN1; SMN2TSHRMAPTLMNA
SCHEMBL13259016 0.81 SMN1; SMN2 (0.42) GPBAR1SMN1; SMN2RAB9AKDM4ETP53
SCHEMBL10229742 0.79 TP53 (0.58) GPBAR1SMN1; SMN2TP53MAPTTHRB
SCHEMBL600933 0.77 GPBAR1 (0.57) GPBAR1
SCHEMBL10229699 0.77 GPBAR1 (0.57) GPBAR1SMN1; SMN2RAB9AKDM4ETSHR
SCHEMBL10229723 0.76 GPBAR1 (0.54) GPBAR1SMN1; SMN2RAB9AKDM4ETSHR
SCHEMBL10229731 0.76 GPBAR1 (0.51) GPBAR1SMN1; SMN2RAB9AKDM4ETSHR

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 GPBAR1 8/4885SMN1; SMN2 4789/4885RAB9A 3409/4885

“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.