SCHEMBL3398746

SCHEMBL3398746

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

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
KCNH2 Q12809 1/20 0.54
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
SCHEMBL4094662 0.90 CACNA1C (0.52) CACNA1C
SCHEMBL3398513 0.89 CACNA1C (0.51) CACNA1C
SCHEMBL4093295 0.89 CACNA1C (0.51) CACNA1C
SCHEMBL3398831 0.86 CYP2C9 (0.63) CYP3A4CYP2C9CYP2C19KCNH2
SCHEMBL2840208 0.84 CACNA1C (0.56) CACNA1C
SCHEMBL12318620 0.84 CACNA1C (0.62) CACNA1C
SCHEMBL14773312 0.84 CACNA1C (0.56) CACNA1C
SCHEMBL12318621 0.84 CACNA1C (0.57) CACNA1C
SCHEMBL13726592 0.83 CACNA1C (0.46) CACNA1C
SCHEMBL2842697 0.83 CACNA1C (0.54) 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 CYP3A4 300/4885CYP2C9 416/4885CYP2C19 594/4885

“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.