SCHEMBL4740917

SCHEMBL4740917

COc1ccc2cc(CNCc3ccc(C(F)(F)F)cc3)c(-c3nccs3)nc2c1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 16/20 0.66
SRC P12931 1/20 0.40
ZAP70 P43403 1/20 0.40
SYK P43405 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ACP1 P24666 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
SCHEMBL14074311 0.90 GPBAR1 (0.69) GPBAR1
SCHEMBL4743315 0.84 GPBAR1 (0.65) GPBAR1ACP1
SCHEMBL4740522 0.82 GPBAR1 (0.83) GPBAR1
SCHEMBL4785424 0.82 GPBAR1 (0.64) GPBAR1ACP1
SCHEMBL4742343 0.81 GPBAR1 (0.66) GPBAR1MEN1KMT2AACP1
SCHEMBL4741390 0.80 GPBAR1 (0.59) GPBAR1MEN1KMT2A
SCHEMBL4743145 0.80 GPBAR1 (0.66) GPBAR1
SCHEMBL4785425 0.80 GPBAR1 (0.83) GPBAR1
SCHEMBL4878000 0.79 GPBAR1 (0.54) GPBAR1ACP1
SCHEMBL14106092 0.79 GPBAR1 (0.48) GPBAR1MEN1KMT2AACP1

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
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 2/4885SRC 3613/4885ZAP70 4449/4885

“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.