SCHEMBL4742343

SCHEMBL4742343

COc1ccc2cc(CNCc3ccc(C(F)(F)F)cc3)c(-c3ncco3)nc2c1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 15/20 0.66
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ACP1 P24666 1/20 0.38
TACR3 P29371 1/20 0.38
PTPN7 P35236 1/20 0.38
DUSP3 P51452 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
SCHEMBL14074315 0.90 GPBAR1 (0.69) GPBAR1TACR3
SCHEMBL4743315 0.85 GPBAR1 (0.65) GPBAR1ACP1TACR3
SCHEMBL4741858 0.84 GPBAR1 (0.66) GPBAR1MEN1KMT2AACP1TACR3
SCHEMBL4785424 0.84 GPBAR1 (0.64) GPBAR1ACP1TACR3
SCHEMBL4880782 0.82 GPBAR1 (0.66) GPBAR1MEN1KMT2AACP1TACR3
SCHEMBL4740917 0.81 GPBAR1 (0.66) GPBAR1MEN1KMT2AACP1
SCHEMBL4878894 0.80 GPBAR1 (0.83) GPBAR1
SCHEMBL4743145 0.80 GPBAR1 (0.66) GPBAR1TACR3
SCHEMBL4878000 0.79 GPBAR1 (0.54) GPBAR1ACP1TACR3
SCHEMBL4740522 0.79 GPBAR1 (0.83) 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
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 2/4885MEN1 4772/4885KMT2A 4224/4885

“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.