SCHEMBL3765201

SCHEMBL3765201

CC(C)(C)c1cc(-c2ccc[nH]c2=O)c2ncc(-c3ccc(NS(C)(=O)=O)cc3F)nc2c1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 15/20 0.45
FEN1 P39748 15/20 0.45
CYP3A4 P08684 3/20 0.39
NPC1 O15118 1/20 0.37
JAK2 O60674 1/20 0.37
RAB9A P51151 1/20 0.37
KIT P10721 1/20 0.36

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
SCHEMBL1703319 0.90 MET (0.40) ALOX5APFEN1CYP3A4NPC1JAK2
SCHEMBL1702674 0.88 CYP3A4 (0.45) ALOX5APFEN1CYP3A4NPC1JAK2
SCHEMBL1702697 0.88 CYP3A4 (0.38) ALOX5APFEN1CYP3A4NPC1JAK2
SCHEMBL16508269 0.86 ALOX5AP (0.45) ALOX5APFEN1CYP3A4NPC1JAK2
SCHEMBL3771679 0.85 KIT (0.40) ALOX5APFEN1KIT
SCHEMBL1703193 0.78 SGK1 (0.40) ALOX5APFEN1CYP3A4NPC1JAK2
SCHEMBL16508276 0.76 MET (0.40) ALOX5APFEN1CYP3A4NPC1JAK2
SCHEMBL1702792 0.76 CYP3A4 (0.45) CYP3A4KIT
SCHEMBL1702649 0.75 MET (0.35) CYP3A4NPC1JAK2RAB9A
SCHEMBL1542618 0.74 CYP3A4 (0.41) CYP3A4

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2440528-B1 HETEROCYCLIC ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2014-10-08 EP claimed
US-20100311760-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS DE VICENTE FIDALGO JAVIER 2010-12-09 US claimed
EP-2440528-B1 HETEROCYCLIC ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2014-10-08 EP disclosed
US-8026253-B2 Quinoline inhibitors of HCV polymerase ROCHE PALO ALTO LLC (US) 2011-09-27 US disclosed
WO-2010142656-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-12-16 WO disclosed
US-20100311760-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS DE VICENTE FIDALGO JAVIER 2010-12-09 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-20100311760-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS EIF2AK2, XDH, GTF3C4 ALOX5AP 3898/4885FEN1 2189/4885CYP3A4 50/4885

“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.