SCHEMBL5969948

SCHEMBL5969948

Cc1c(C(=O)N[C@H](C(=O)NC(CC(=O)O)C(=O)CF)C(C)C)[nH]c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 17/20 0.47
CASP8 Q14790 10/20 0.47
CASP7 P55210 7/20 0.47
CASP1 P29466 6/20 0.47
CASP6 P55212 2/20 0.46
CASP9 P55211 1/20 0.46
CAPN1 P07384 1/20 0.42

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
SCHEMBL5970715 0.89 GAA (0.50) CASP3CASP8CASP7CASP1CASP6
SCHEMBL5969995 0.86 CASP3 (0.47) CASP3CASP8CASP7CASP1CASP6
SCHEMBL7538762 0.84 CASP3 (0.64) CASP3CASP8CASP7CASP6
SCHEMBL6755228 0.83 CAPN1 (0.39) CASP3CASP8CASP7CASP1CAPN1
SCHEMBL5970017 0.82 CASP3 (0.42) CASP3CASP8CASP7CASP1CASP6
SCHEMBL8606968 0.80 CASP3 (0.41) CASP3CASP8CASP7CASP1CASP6
SCHEMBL8608833 0.80 CASP3 (0.44) CASP3CASP8CASP7CASP1CASP6
SCHEMBL5970102 0.79 CASP3 (0.43) CASP3CASP8CASP7CASP1CASP6
SCHEMBL2023877 0.78 CASP3 (0.53) CASP3CASP8CASP7CASP1CASP6
SCHEMBL2023872 0.78 CASP3 (0.53) CASP3CASP8CASP7CASP1CASP6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0929311-B8 INHIBITION OF APOPTOSIS USING INTERLEUKIN-1 beta-CONVERTING ENZYME (ICE)/CED-3 FAMILY INHIBITORS IDUN PHARMACEUTICALS INC (US) 2006-02-01 EP disclosed
EP-1443935-A2 TREATMENT OF INFECTIOUS DISEASE USING INTERLEUKIN-1 BETA CONVERTING ENZYME (ICE)/CED-3 FAMILY INHIBITORS Idun Pharmaceuticals, Inc. (US) 2004-08-11 EP disclosed
WO-2003032918-A2 TREATMENT OF INFECTIOUS DISEASE USING INTERLEUKIN-1 BETA CONVERTING ENZYME (ICE)/CED-3 FAMILY INHIBITORS IDUN PHARMACEUTICALS, INC. (US) 2003-04-24 WO disclosed
WO-2002070544-A2 METHODS, COMPOSITIONS AND KITS FOR PRESERVING ANTIGENICITY IDUN PHARMACEUTICALS, INC. (US) 2002-09-12 WO disclosed
EP-1159291-A1 C-TERMINAL MODIFIED (N-SUBSTITUTED)-2-INDOLYLCARBONYLDIPEPTIDES AS INHIBITORS OF THE ICE/CED-3 FAMILY OF CYSTEINE PROTEASES Idun Pharmaceuticals, Inc. (US) 2001-12-05 EP disclosed
EP-0929311-A4 INHIBITION OF APOPTOSIS USING INTERLEUKIN-1 beta-CONVERTING ENZYME (ICE)/CED-3 FAMILY INHIBITORS IDUN PHARMACEUTICALS INC (US) 2001-08-29 EP disclosed
WO-2001000658-A1 C-TERMINAL MODIFIED (N-SUBSTITUTED)-2-INDOLYLCARBONYLDIPEPTIDES AS INHIBITORS OF THE ICE/CED-3 FAMILY OF CYSTEINE PROTEASES IDUN PHARMACEUTICALS, INC. (US) 2001-01-04 WO disclosed
EP-0929311-A1 INHIBITION OF APOPTOSIS USING INTERLEUKIN-1 beta-CONVERTING ENZYME (ICE)/CED-3 FAMILY INHIBITORS Idun Pharmaceuticals, Inc. (US) 1999-07-21 EP disclosed
EP-0920444-A1 C-TERMINAL MODIFIED (N-SUBSTITUTED)-2-INDOLYL DIPEPTIDES AS INHIBITORS OF THE ICE/ced-3 FAMILY OF CYSTEINE PROTEASES Idun Pharmaceuticals, Inc. (US) 1999-06-09 EP disclosed
WO-1998010778-A1 INHIBITION OF APOPTOSIS USING INTERLEUKIN-1β-CONVERTING ENZYME (ICE)/CED-3 FAMILY INHIBITORS IDUN PHARMACEUTICALS, INC. (US) 1998-03-19 WO disclosed
WO-1998011129-A1 C-TERMINAL MODIFIED (N-SUBSTITUTED)-2-INDOLYL DIPEPTIDES AS INHIBITORS OF THE ICE/ced-3 FAMILY OF CYSTEINE PROTEASES IDUN PHARMACEUTICALS, INCORPORATED (US) 1998-03-19 WO disclosed