SCHEMBL479100

SCHEMBL479100

COc1c(/C=C/c2ccc(NS(C)(=O)=O)cc2)cc(-n2c(=O)cc[nH]c2=O)cc1C(C)(C)C

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.61
CRBN Q96SW2 1/20 0.42
TNFRSF1A P19438 1/20 0.31
PTGS2 P35354 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
Water SCHEMBL2484221 0.99 CYP3A4 (0.60) CYP3A4CRBNTNFRSF1APTGS2
Water SCHEMBL2908232 0.98 CYP3A4 (0.59) CYP3A4CRBNTNFRSF1A
SCHEMBL2913043 0.91 CYP3A4 (0.51) CYP3A4CRBNPTGS2
SCHEMBL2915424 0.89 CYP3A4 (0.49) CYP3A4CRBNPTGS2
SCHEMBL2915016 0.87 CYP3A4 (0.47) CYP3A4CRBNPTGS2
SCHEMBL2913786 0.87 CYP3A4 (0.47) CYP3A4CRBNPTGS2
SCHEMBL3763864 0.87 CYP3A4 (0.46) CYP3A4CRBN
SCHEMBL3651182 0.86 CYP3A4 (0.47) CYP3A4CRBN
SCHEMBL2908263 0.86 CYP3A4 (0.57) CYP3A4CRBNTNFRSF1APTGS2
SCHEMBL2112795 0.84 CYP3A4 (0.56) CYP3A4CRBNTNFRSF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2411372-A1 PROCESS FOR PREPARING ANTIVIRAL COMPOUND Abbott Laboratories (US) 2012-02-01 EP claimed
WO-2010111348-A1 PROCESS FOR PREPARING ANTIVIRAL COMPOUND ABBOTT LABORATORIES (US) 2010-09-30 WO claimed
EP-2222646-A1 URACIL OR THYMINE DERIVATIVE FOR TREATING HEPATITIS C Abbott Laboratories (US) 2010-09-01 EP claimed
EP-2203430-A1 N-PHENYL-DIOXO-HYDROPYRIMIDINES USEFUL AS HEPATITIS C VIRUS (HCV) INHIBITORS Abbott Laboratories (US) 2010-07-07 EP claimed
WO-2009039135-A1 N-PHENYL-DIOXO-HYDROPYRIMIDINES USEFUL AS HEPATITIS C VIRUS (HCV) INHIBITORS ABBOTT LABORATORIES (US) 2009-03-26 WO claimed
WO-2009039127-A1 URACIL OR THYMINE DERIVATIVE FOR TREATING HEPATITIS C ABBOTT LABORATORIES (US) 2009-03-26 WO claimed
EP-2866807-A2 METHODS FOR TREATING HCV Abbvie Inc. (US) 2015-05-06 EP disclosed
EP-2685964-A1 FORMULATIONS OF PHENYL URACIL COMPOUNDS AbbVie Inc. (US) 2014-01-22 EP disclosed
WO-2014004674-A2 METHODS FOR TREATING HCV ABBVIE INC. (US) 2014-01-03 WO disclosed
WO-2013059638-A1 COMBINATION TREATMENT (EG. WITH ABT-072 OR ABT -333) OF DAAS FOR USE IN TREATING HCV ABBVIE INC. (US) 2013-04-25 WO disclosed
WO-2013059630-A1 METHODS FOR TREATING HCV COMPRISING AT LEAST TWO DIRECT ACTING ANTIVIRAL AGENT, RIBAVIRIN BUT NOT INTERFERON. ABBVIE INC. (US) 2013-04-25 WO disclosed
WO-2012129099-A1 FORMULATIONS OF PHENYL URACIL COMPOUNDS ABBOTT LABORATORIES (US) 2012-09-27 WO disclosed
EP-2411372-A1 PROCESS FOR PREPARING ANTIVIRAL COMPOUND Abbott Laboratories (US) 2012-02-01 EP disclosed
EP-2203430-B1 N-PHENYL-DIOXO-HYDROPYRIMIDINES USEFUL AS HEPATITIS C VIRUS (HCV) INHIBITORS ABBOTT LAB (US) 2011-06-15 EP disclosed
WO-2010111348-A1 PROCESS FOR PREPARING ANTIVIRAL COMPOUND ABBOTT LABORATORIES (US) 2010-09-30 WO disclosed
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-2009039135-A1 N-PHENYL-DIOXO-HYDROPYRIMIDINES USEFUL AS HEPATITIS C VIRUS (HCV) INHIBITORS ABBOTT LABORATORIES (US) 2009-03-26 WO disclosed
WO-2009039127-A1 URACIL OR THYMINE DERIVATIVE FOR TREATING HEPATITIS C ABBOTT LABORATORIES (US) 2009-03-26 WO disclosed