SCHEMBL7354953

SCHEMBL7354953

CC(C)C[C@H](NC(=O)N1CCOCC1)C(=O)[C@H](/C=C(\N)S(=O)(=O)c1ccccc1)CCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSS P25774 15/20 0.61
CTSB P07858 6/20 0.61
CTSL P07711 6/20 0.61
CTSK P43235 4/20 0.61
CTSH P09668 1/20 0.61
CTSC P53634 1/20 0.61

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
SCHEMBL7354956 1.00 CTSS (0.61) CTSSCTSBCTSLCTSKCTSH
SCHEMBL7026622 0.80 CTSS (0.65) CTSSCTSBCTSLCTSKCTSH
Bromide SCHEMBL7353567 0.79 CTSL (0.48) CTSSCTSBCTSLCTSKCTSH
SCHEMBL6448138 0.77 CTSS (0.69) CTSSCTSBCTSLCTSKCTSH
SCHEMBL7403149 0.77 CTSS (0.60) CTSSCTSBCTSLCTSKCTSH
SCHEMBL7353055 0.77 REN (0.46) CTSSCTSBCTSL
SCHEMBL7353008 0.76 CTSL (1.00) CTSSCTSBCTSLCTSKCTSH
SCHEMBL7352997 0.76 CTSL (1.00) CTSSCTSBCTSLCTSKCTSH
SCHEMBL7352989 0.76 CTSL (1.00) CTSSCTSBCTSLCTSKCTSH
SCHEMBL7026009 0.74 CTSS (0.75) CTSSCTSBCTSLCTSKCTSH

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 4 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
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