SCHEMBL7354429

SCHEMBL7354429

CC(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(C=CS(=O)(=O)c1ccccc1)Cc1ccc(O)cc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSL P07711 4/20 0.59
PSMB2 P49721 12/20 0.53
PSMB5 P28074 9/20 0.53
PSMB10 P40306 6/20 0.53
CTSK P43235 3/20 0.53
PSMB1 P20618 3/20 0.53
PSMB8 P28062 3/20 0.53
CTSB P07858 2/20 0.53
CTSH P09668 1/20 0.53
CTSC P53634 1/20 0.53
CTSS P25774 1/20 0.53
CASP1 P29466 1/20 0.52

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
SCHEMBL7354419 1.00 CTSL (0.59) CTSLPSMB2PSMB5PSMB10CTSK
SCHEMBL7354432 1.00 CTSL (0.59) CTSLPSMB2PSMB5PSMB10CTSK
SCHEMBL7353893 0.89 CTSL (0.76) CTSLCTSBCASP1
SCHEMBL7353906 0.89 CTSL (0.76) CTSLCTSBCASP1
SCHEMBL7353898 0.89 CTSL (0.76) CTSLCTSBCASP1
SCHEMBL7353382 0.85 CTSS (0.75) CTSLPSMB2PSMB5PSMB10CTSK
SCHEMBL7362787 0.82 CTSL (0.61) CTSLPSMB2PSMB5PSMB10CTSK
SCHEMBL7362782 0.82 CTSL (0.61) CTSLPSMB2PSMB5PSMB10CTSK
SCHEMBL7362789 0.82 CTSL (0.61) CTSLPSMB2PSMB5PSMB10CTSK
SCHEMBL7356643 0.82 CTSL (0.61) CTSLPSMB2PSMB5PSMB10CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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