SCHEMBL4094662

SCHEMBL4094662

CNC(=O)c1c(-c2ccc(Oc3ccc(F)cc3)cc2)oc2cc(N(C)S(C)(=O)=O)c(C)cc12

nearest known ligand 0.56

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CACNA1C Q13936 1/20 0.52

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
SCHEMBL14773312 0.94 CACNA1C (0.56) CACNA1C
SCHEMBL3395983 0.91 CACNA1C (0.51) CACNA1C
SCHEMBL3398746 0.90 CYP3A4 (0.54) CACNA1C
SCHEMBL17358378 0.90
SCHEMBL16502228 0.89 CYP3A4 (0.52) CACNA1C
SCHEMBL3398513 0.89 CACNA1C (0.51) CACNA1C
SCHEMBL4093295 0.89 CACNA1C (0.51) CACNA1C
SCHEMBL3398742 0.88 CYP3A4 (0.51)
SCHEMBL3398831 0.87 CYP2C9 (0.63)
SCHEMBL10241494 0.86 CYP2C9 (0.53) CACNA1C

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
EP-2245023-B1 HETEROCYCLIC ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2011-12-28 EP claimed
US-8071797-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2011-12-06 US claimed
US-20090208449-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2009-08-20 US claimed
US-8071797-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2011-12-06 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-20090208449-A1 Heterocyclic antiviral compounds EIF2AK2, HCCS, RTF2 CACNA1C 4571/4885

“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.