SCHEMBL4744685

SCHEMBL4744685

CCOc1ccc2cc(CNCc3ccc(C(F)(F)F)cc3)c(-c3ccsc3)nc2c1

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 16/20 0.68
MAOB P27338 1/20 0.39
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
PDGFRB P09619 1/20 0.39
PDGFRA P16234 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
SCHEMBL4740522 0.91 GPBAR1 (0.83) GPBAR1PDGFRBPDGFRA
SCHEMBL4740454 0.89 GPBAR1 (0.68) GPBAR1
SCHEMBL4788221 0.86 GPBAR1 (0.68) GPBAR1MAPT
SCHEMBL4739909 0.84 GPBAR1 (0.61) GPBAR1
SCHEMBL4742338 0.84 GPBAR1 (0.64) GPBAR1
SCHEMBL4741956 0.84 GPBAR1 (0.67) GPBAR1
SCHEMBL4872923 0.83 GPBAR1 (0.71) GPBAR1MAPTPDGFRBPDGFRA
SCHEMBL4785753 0.83 GPBAR1 (0.60) GPBAR1
SCHEMBL4744687 0.83 GPBAR1 (0.55) GPBAR1MAOBTP53GAAMAPT
SCHEMBL4740536 0.83 GPBAR1 (0.70) GPBAR1

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-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

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 2/4885MAOB 2816/4885TP53 4801/4885

“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.