SCHEMBL7352274

SCHEMBL7352274

CC[C@@H](C=CS(=O)(=O)c1ccccc1)NC(=O)[C@@H](N)Cc1ccc(C(=O)C2CNCCO2)cc1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSB P07858 6/20 0.47
CTSK P43235 4/20 0.47
CTSS P25774 3/20 0.47
CTSC P53634 3/20 0.47
CTSH P09668 2/20 0.47
CTSL P07711 5/20 0.40
CASP3 P42574 1/20 0.38

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
SCHEMBL7354313 0.92 CTSB (0.51) CTSBCTSKCTSSCTSCCTSH
SCHEMBL7360670 0.91 CTSB (0.47) CTSBCTSKCTSSCTSCCTSH
SCHEMBL7349455 0.91 CTSB (0.56) CTSBCTSKCTSSCTSCCTSH
SCHEMBL7355598 0.91 CTSB (0.56) CTSBCTSKCTSSCTSCCTSH
SCHEMBL7360548 0.90 CTSB (0.46) CTSBCTSKCTSSCTSCCTSH
SCHEMBL7357995 0.89 CTSB (0.40) CTSBCTSKCTSSCTSCCTSH
SCHEMBL7356286 0.89 CTSB (0.42) CTSBCTSKCTSSCTSCCTSH
Bromide SCHEMBL7353802 0.89 CTSB (0.44) CTSBCTSKCTSSCTSCCTSH
SCHEMBL7352947 0.87 PSMB8 (0.43) CTSBCTSKCTSSCTSCCTSH
SCHEMBL7349658 0.86 CTSB (0.42) CTSBCTSKCTSSCTSCCTSH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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