SCHEMBL2910162

SCHEMBL2910162

COc1c(/C=C/c2ccc(NS(C)(=O)=O)cc2)cc(-n2c(=O)cc[nH]c2=O)cc1-c1ccco1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.46
PTPN2 P17706 2/20 0.34
PTPN1 P18031 2/20 0.34
PTPN6 P29350 2/20 0.34
CRBN Q96SW2 1/20 0.31
NLRP3 Q96P20 1/20 0.31

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
SCHEMBL2912679 0.85 CYP3A4 (0.46) CYP3A4CRBN
SCHEMBL2913615 0.84 CYP3A4 (0.46) CYP3A4CRBN
SCHEMBL2914308 0.84 CYP3A4 (0.47) CYP3A4CRBN
SCHEMBL2915424 0.83 CYP3A4 (0.49) CYP3A4CRBN
SCHEMBL2913786 0.83 CYP3A4 (0.47) CYP3A4PTPN1CRBN
SCHEMBL2915016 0.83 CYP3A4 (0.47) CYP3A4CRBN
SCHEMBL1530533 0.83 CRBN (0.48) CYP3A4PTPN2PTPN1PTPN6CRBN
SCHEMBL1530531 0.83 CRBN (0.48) CYP3A4PTPN2PTPN1PTPN6CRBN
SCHEMBL2913825 0.83 CYP3A4 (0.47) CYP3A4CRBN
SCHEMBL2913176 0.82 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