SCHEMBL2915424

SCHEMBL2915424

COc1c(/C=C/c2ccc(NS(C)(=O)=O)cc2)cc(-n2c(=O)cc[nH]c2=O)cc1S(C)(=O)=O

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.49
CRBN Q96SW2 1/20 0.33
PTGS2 P35354 1/20 0.31
TEAD2 Q15562 1/20 0.30
FLT3 P36888 1/20 0.30
PADI4 Q9UM07 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
SCHEMBL479100 0.89 CYP3A4 (0.61) CYP3A4CRBNPTGS2
SCHEMBL2913786 0.89 CYP3A4 (0.47) CYP3A4CRBNPTGS2TEAD2FLT3
SCHEMBL2915016 0.89 CYP3A4 (0.47) CYP3A4CRBNPTGS2TEAD2FLT3
Water SCHEMBL2484221 0.88 CYP3A4 (0.60) CYP3A4CRBNPTGS2
Water SCHEMBL2908232 0.88 CYP3A4 (0.59) CYP3A4CRBN
SCHEMBL2913043 0.85 CYP3A4 (0.51) CYP3A4CRBNPTGS2
SCHEMBL2914308 0.84 CYP3A4 (0.47) CYP3A4CRBN
SCHEMBL2912679 0.83 CYP3A4 (0.46) CYP3A4CRBN
SCHEMBL2910162 0.83 CYP3A4 (0.46) CYP3A4CRBN
SCHEMBL2913176 0.83 CYP3A4 (0.46) CYP3A4CRBN

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