SCHEMBL8282979

SCHEMBL8282979

CC(C)(C)OC(=O)N[C@H](CNS(=O)(=O)N(CCCBr)C(=O)OCc1ccccc1)C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.43
MAPT P10636 1/20 0.39
PPARA Q07869 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA7 P43166 1/20 0.39
CA14 Q9ULX7 1/20 0.39
ATM Q13315 1/20 0.38
AKT1 P31749 1/20 0.37
CTSL P07711 1/20 0.37
CTSS P25774 1/20 0.37
KLK5 Q9Y337 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL13622698 1.00 SYK (0.43) SYKMAPTPPARACA12CA1
SCHEMBL13622709 0.95 SYK (0.44) SYKMAPTPPARACA12CA1
SCHEMBL8284170 0.95 SYK (0.44) SYKMAPTPPARACA12CA1
SCHEMBL12601412 0.91 SYK (0.43) SYKMAPTPPARACA12CA1
SCHEMBL12601264 0.78 ABCB1 (0.34) SYKCA12CA1CA7CA14
SCHEMBL8282978 0.77 CA1 (0.57) SYKMAPTPPARACA12CA1
SCHEMBL13622695 0.77 CA1 (0.57) SYKMAPTPPARACA12CA1
SCHEMBL8283801 0.76 SYK (0.43) SYKMAPTPPARAATMAKT1
SCHEMBL2724477 0.72 SYK (0.72) SYKMAPTPPARAATMCTSL
SCHEMBL2724479 0.72 SYK (0.72) SYKMAPTPPARAATMCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1730142-B1 NOVEL KETOAMIDES WITH CYCLIC P4'S AS INHIBITORS OF NS3 SERINE PROTEASE OF HEPATITIS C VIRUS SCHERING CORP (US) 2011-06-29 EP disclosed
US-7619094-B2 Ketoamides with cyclic P4's as inhibitors of NS3 serine protease of hepatitis C virus SCHERING CORPORATION (US) 2009-11-17 US disclosed
WO-2005085242-A1 NOVEL KETOAMIDES WITH CYCLIC P4'S AS INHIBITORS OF NS3 SERINE PROTEASE OF HEPATITIS C VIRUS SCHERING CORPORATION (US) 2005-09-15 WO disclosed