SCHEMBL7353053

SCHEMBL7353053

O=C(NCCCC[C@@H](/C=C/S(=O)(=O)c1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1)OCc1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSL P07711 9/20 0.72
CTSB P07858 7/20 0.72
CTSK P43235 4/20 0.61
CTSS P25774 3/20 0.61
CTSH P09668 1/20 0.61
CTSC P53634 1/20 0.61
CASP1 P29466 1/20 0.47

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
SCHEMBL7353049 1.00 CTSL (0.72) CTSLCTSBCTSKCTSSCTSH
SCHEMBL8492550 1.00 CTSL (0.72) CTSLCTSBCTSKCTSSCTSH
SCHEMBL7349649 0.89 CTSB (0.75) CTSLCTSBCTSKCTSSCTSH
SCHEMBL7349641 0.89 CTSB (0.75) CTSLCTSBCTSKCTSSCTSH
SCHEMBL7349654 0.89 CTSB (0.75) CTSLCTSBCTSKCTSSCTSH
SCHEMBL7359167 0.89 CTSL (0.61) CTSLCTSBCTSKCTSSCTSH
SCHEMBL7359183 0.89 CTSL (0.61) CTSLCTSBCTSKCTSSCTSH
SCHEMBL7359170 0.89 CTSL (0.61) CTSLCTSBCTSKCTSSCTSH
SCHEMBL7351482 0.88 CTSL (0.54) CTSLCTSBCTSKCTSSCTSH
SCHEMBL7351491 0.88 CTSL (0.54) CTSLCTSBCTSKCTSSCTSH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5976858-A (S)-(E)-3-(4-MORPHOLINE-CARBONYLLEUCYL)AMINO-5-PHENYL-1-PHENYL SULFONYL-1-PENTENE AND OTHERS; ANTIARTHRITIS/ANTITUMOR/ ANTIINFLAMMATORY/ANTIMETASTASIS AGENTS; TREATMENT OF MUSCULAR DYSTROPHY, MALARIA, ALZHEIMER'S AND AUTOIMMUNE DISEASES ARRIS PHARMACEUTICALS (US) 1999-11-02 US claimed
EP-0756625-A4 IRREVERSIBLE CYSTEINE PROTEASE INHIBITORS CONTAINING VINYL GROUPS CONJUGATED TO ELECTRON WITHDRAWING GROUPS ARRIS PHARM CORP (US) 1999-07-28 EP claimed
EP-0756625-A1 IRREVERSIBLE CYSTEINE PROTEASE INHIBITORS CONTAINING VINYL GROUPS CONJUGATED TO ELECTRON WITHDRAWING GROUPS ARRIS PHARMACEUTICAL CORPORATION (US) 1997-02-05 EP claimed
WO-1995023222-A1 IRREVERSIBLE CYSTEINE PROTEASE INHIBITORS CONTAINING VINYL GROUPS CONJUGATED TO ELECTRON WITHDRAWING GROUPS KHEPRI PHARMACEUTICALS, INC. (US) 1995-08-31 WO claimed
US-6287840-B1 PEPTIDOMIMETICS; COUPLING, DEBLOCKING; ANTIARTHRITIC, ANTITUMOR, ANTICARCINOGENIC, AND ANTIMETASTASIS AGENTS; MUSCULAR DYSTROPHY, GLOMERULONEPHRITIS, MALARIA, ALZHEIMER*S DISEASE AXYS PHARMACEUTICALS, INC. 2001-09-11 US disclosed
US-5976858-A (S)-(E)-3-(4-MORPHOLINE-CARBONYLLEUCYL)AMINO-5-PHENYL-1-PHENYL SULFONYL-1-PENTENE AND OTHERS; ANTIARTHRITIS/ANTITUMOR/ ANTIINFLAMMATORY/ANTIMETASTASIS AGENTS; TREATMENT OF MUSCULAR DYSTROPHY, MALARIA, ALZHEIMER'S AND AUTOIMMUNE DISEASES ARRIS PHARMACEUTICALS (US) 1999-11-02 US disclosed
EP-0756625-A4 IRREVERSIBLE CYSTEINE PROTEASE INHIBITORS CONTAINING VINYL GROUPS CONJUGATED TO ELECTRON WITHDRAWING GROUPS ARRIS PHARM CORP (US) 1999-07-28 EP disclosed
EP-0756625-A1 IRREVERSIBLE CYSTEINE PROTEASE INHIBITORS CONTAINING VINYL GROUPS CONJUGATED TO ELECTRON WITHDRAWING GROUPS ARRIS PHARMACEUTICAL CORPORATION (US) 1997-02-05 EP disclosed
WO-1995023222-A1 IRREVERSIBLE CYSTEINE PROTEASE INHIBITORS CONTAINING VINYL GROUPS CONJUGATED TO ELECTRON WITHDRAWING GROUPS KHEPRI PHARMACEUTICALS, INC. (US) 1995-08-31 WO disclosed