SCHEMBL3398513

SCHEMBL3398513

CCc1cc2c(C(=O)NC)c(-c3ccc(Oc4ccc(F)cc4)cc3)oc2cc1N(C)S(C)(=O)=O

nearest known ligand 0.54

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CACNA1C Q13936 1/20 0.51

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
SCHEMBL2843904 0.95 CACNA1C (0.54) CACNA1C
SCHEMBL4094662 0.89 CACNA1C (0.52) CACNA1C
SCHEMBL3398746 0.89 CYP3A4 (0.54) CACNA1C
SCHEMBL3394357 0.88 CYP3A4 (0.50)
SCHEMBL4093295 0.88 CACNA1C (0.51) CACNA1C
SCHEMBL3398831 0.85 CYP2C9 (0.63)
SCHEMBL2834894 0.85 CACNA1C (0.53) CACNA1C
SCHEMBL16502228 0.84 CYP3A4 (0.52) CACNA1C
SCHEMBL3398507 0.84 CYP2C9 (0.44) CACNA1C
SCHEMBL5260010 0.84 ANO1 (0.48) 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 8 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
EP-2245023-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2010-11-03 EP claimed
WO-2009101022-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2009-08-20 WO 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
US-8071797-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2011-12-06 US disclosed
US-20090208449-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2009-08-20 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.