SCHEMBL4740926

SCHEMBL4740926

COc1ccc2cc(C=O)c(-c3ccsc3)nc2c1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 8/20 0.59
PDGFRB P09619 3/20 0.56
PDGFRA P16234 3/20 0.56
NPC1 O15118 1/20 0.48
MAOB P27338 2/20 0.44
MAOA P21397 1/20 0.44
ERN1 O75460 1/20 0.44
ALDH1A1 P00352 1/20 0.42
KDM4E B2RXH2 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TRIM24 O15164 1/20 0.41
TYR P14679 1/20 0.41
TRIM33 Q9UPN9 1/20 0.41
MAPK14 Q16539 1/20 0.39

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
SCHEMBL4741886 0.81 PDGFRB (0.60) GPBAR1PDGFRBPDGFRANPC1MAOB
SCHEMBL4742392 0.81 BACE1 (0.46) GPBAR1PDGFRBPDGFRAMAOAERN1
SCHEMBL4739252 0.80 GPBAR1 (0.55) GPBAR1PDGFRBPDGFRAERN1TRIM24
SCHEMBL4740452 0.79 GPBAR1 (0.56) GPBAR1PDGFRBPDGFRANPC1MAOB
SCHEMBL4741387 0.78 GPBAR1 (0.57) GPBAR1PDGFRBPDGFRANPC1MAOB
SCHEMBL4741474 0.78 GPBAR1 (0.69) GPBAR1PDGFRBPDGFRANPC1MAOB
SCHEMBL7998293 0.77 ERN1 (0.51) GPBAR1PDGFRBPDGFRANPC1MAOB
SCHEMBL4741461 0.77 ERN1 (0.48) GPBAR1ERN1ALDH1A1
SCHEMBL4740519 0.77 GPBAR1 (0.53) GPBAR1PDGFRBPDGFRAERN1ALDH1A1
SCHEMBL4871895 0.76 KDM4E (0.52) GPBAR1NPC1ERN1ALDH1A1KDM4E

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-20080221161-A1 HETEROCYCLIC MODULATORS OF TGR5 FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2008-09-11 US disclosed
US-20080221161-A1 HETEROCYCLIC MODULATORS OF TGR5 FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2008-09-11 US disclosed
US-20080221161-A1 HETEROCYCLIC MODULATORS OF TGR5 FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2008-09-11 US disclosed
WO-2008097976-A1 HETEROCYCLIC MODULATORS OF TGR5 FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2008-08-14 WO disclosed
WO-2008097976-A1 HETEROCYCLIC MODULATORS OF TGR5 FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2008-08-14 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-20080221161-A1 HETEROCYCLIC MODULATORS OF TGR5 FOR TREATMENT OF DISEASE GPR119, GPBAR1, LDLR GPBAR1 2/4885PDGFRB 1505/4885PDGFRA 1411/4885

“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.