SCHEMBL4764611

SCHEMBL4764611

CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC

nearest known ligand 0.75

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 18/20 0.75
CTSS P25774 6/20 0.75
CAPN1 P07384 1/20 0.54
CTSL P07711 1/20 0.48
CTSB P07858 1/20 0.48
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46

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
SCHEMBL4774352 1.00 CTSK (0.75) CTSKCTSSCAPN1CTSLCTSB
SCHEMBL31036496 0.88 CTSK (0.71) CTSKCTSSCAPN1CTSLCTSB
SCHEMBL20542796 0.87 CTSK (0.70) CTSKCTSSCAPN1HDAC4HDAC1
SCHEMBL10605035 0.87 CTSK (0.74) CTSKCTSSCAPN1CTSLCTSB
SCHEMBL2118971 0.87 CTSK (0.74) CTSKCTSSCAPN1CTSLCTSB
SCHEMBL20542797 0.87 CTSK (0.70) CTSKCTSSCAPN1HDAC4HDAC1
SCHEMBL29826317 0.87 CTSK (0.69) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL245191 0.86 CTSK (0.68) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL13560716 0.86 CTSK (0.68) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL9029356 0.86 CTSK (0.68) CTSKCTSSHDAC4HDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1572678-A4 SUBSTITUTED N-PHENYL SULFONAMIDE BRADYKININ ANTAGONISTS ELAN PHARM INC (US) 2008-05-07 EP claimed
EP-1572678-A2 SUBSTITUTED N-PHENYL SULFONAMIDE BRADYKININ ANTAGONISTS Elan Pharmaceuticals, Inc. (US) 2005-09-14 EP claimed
EP-1549622-A1 SULFONYLBENZODIAZEPINONE ACETAMIDES AS BRADYKININ ANTAGONISTS Elian Pharmaceuticals Inc. (US) 2005-07-06 EP claimed
WO-2004056319-A2 SUBSTITUTED N-PHENYL SULFONAMIDE BRADYKININ ANTAGONISTS ELAN PHARMACEUTICALS INC. (US) 2004-07-08 WO claimed
WO-2004033436-A1 SULFONYLBENZODIAZEPINONE ACETAMIDES AS BRADYKININ ANTAGONISTS ELAN PHARMACEUTICALS INC (US) 2004-04-22 WO claimed
EP-1572678-A4 SUBSTITUTED N-PHENYL SULFONAMIDE BRADYKININ ANTAGONISTS ELAN PHARM INC (US) 2008-05-07 EP disclosed
EP-1633349-A1 4-BROMO-5- (2-CHLORO-BENZOYLAMINO)-1H-PYRAZOLE-3-CARBOXYLIC ACID (1-(AMINOCARBONYL) ETH-1-YL) AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES Elan Pharmaceuticals, Inc. (US) 2006-03-15 EP disclosed
EP-1572678-A2 SUBSTITUTED N-PHENYL SULFONAMIDE BRADYKININ ANTAGONISTS Elan Pharmaceuticals, Inc. (US) 2005-09-14 EP disclosed
EP-1549622-A1 SULFONYLBENZODIAZEPINONE ACETAMIDES AS BRADYKININ ANTAGONISTS Elian Pharmaceuticals Inc. (US) 2005-07-06 EP disclosed
EP-1501807-A1 SULFONYLQUINOXALONE ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ ANTAGONISTS Elan Pharmaceuticals, Inc. (US) 2005-02-02 EP disclosed
WO-2004098590-A1 4-BROMO-5- (2-CHLORO-BENZOYLAMINO)-1H-PYRAZOLE-3-CARBOXYLIC ACID (1-(AMINOCARBONYL) ETH-1-YL) AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES ELAN PHARMACEUTICALS, INC. (US) 2004-11-18 WO disclosed
WO-2004056319-A2 SUBSTITUTED N-PHENYL SULFONAMIDE BRADYKININ ANTAGONISTS ELAN PHARMACEUTICALS INC. (US) 2004-07-08 WO disclosed
WO-2004033436-A1 SULFONYLBENZODIAZEPINONE ACETAMIDES AS BRADYKININ ANTAGONISTS ELAN PHARMACEUTICALS INC (US) 2004-04-22 WO disclosed
WO-2003093245-A1 SULFONYLQUINOXALONE ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ ANTAGONISTS ELAN PHARMACEUTICALS, INC. (US) 2003-11-13 WO disclosed