SCHEMBL2913728

SCHEMBL2913728

COc1c(/C=C\c2ccc(NS(C)(=O)=O)cc2)cc(N2C(=O)CCNC2=O)cc1C(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.56
CRBN Q96SW2 1/20 0.40
TEAD2 Q15562 1/20 0.33
TNFRSF1A P19438 1/20 0.31
TRPV1 Q8NER1 2/20 0.30
MTOR P42345 1/20 0.30

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
SCHEMBL2913880 1.00 CYP3A4 (0.56) CYP3A4CRBNTEAD2TNFRSF1ATRPV1
SCHEMBL2913573 0.88 CYP3A4 (0.44) CYP3A4CRBNTRPV1
SCHEMBL2910585 0.85 CYP3A4 (0.40) CYP3A4CRBN
SCHEMBL2909904 0.85 CYP3A4 (0.40) CYP3A4CRBN
SCHEMBL2906898 0.85 CYP3A4 (0.40) CYP3A4CRBNMTOR
SCHEMBL2914330 0.85 CYP3A4 (0.40) CYP3A4CRBNMTOR
SCHEMBL2910588 0.85 CYP3A4 (0.40) CYP3A4CRBNMTOR
SCHEMBL2114056 0.84 CYP3A4 (0.56) CYP3A4CRBNTEAD2TNFRSF1ATRPV1
SCHEMBL2114059 0.84 CYP3A4 (0.56) CYP3A4CRBNTEAD2TNFRSF1ATRPV1
SCHEMBL2912906 0.83 CYP3A4 (0.39) CYP3A4TRPV1

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-2222646-A1 URACIL OR THYMINE DERIVATIVE FOR TREATING HEPATITIS C Abbott Laboratories (US) 2010-09-01 EP disclosed
EP-2203430-A1 N-PHENYL-DIOXO-HYDROPYRIMIDINES USEFUL AS HEPATITIS C VIRUS (HCV) INHIBITORS Abbott Laboratories (US) 2010-07-07 EP disclosed
WO-2009039127-A1 URACIL OR THYMINE DERIVATIVE FOR TREATING HEPATITIS C ABBOTT LABORATORIES (US) 2009-03-26 WO disclosed
WO-2009039135-A1 N-PHENYL-DIOXO-HYDROPYRIMIDINES USEFUL AS HEPATITIS C VIRUS (HCV) INHIBITORS ABBOTT LABORATORIES (US) 2009-03-26 WO disclosed