SCHEMBL7356705

SCHEMBL7356705

CC(C)(C)OC(=O)N[C@H](/C=C/C=C/S(=O)(=O)c1ccccc1)CCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.54
CTSB P07858 3/20 0.54
CTSS P25774 3/20 0.54
CTSH P09668 1/20 0.54
CTSC P53634 1/20 0.54
CTSL P07711 7/20 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
SCHEMBL7356716 1.00 CTSK (0.54) CTSKCTSBCTSSCTSHCTSC
SCHEMBL7356711 1.00 CTSK (0.54) CTSKCTSBCTSSCTSHCTSC
SCHEMBL8127874 0.93 CTSB (0.62) CTSKCTSBCTSSCTSHCTSC
SCHEMBL7360201 0.83 CTSK (0.54) CTSKCTSBCTSSCTSL
SCHEMBL7360210 0.83 CTSK (0.54) CTSKCTSBCTSSCTSL
SCHEMBL7360216 0.83 CTSK (0.54) CTSKCTSBCTSSCTSL
SCHEMBL12704332 0.83 CTSL (0.76) CTSKCTSBCTSSCTSHCTSC
SCHEMBL9103775 0.80 CTSK (0.55) CTSKCTSSCTSL
SCHEMBL7024488 0.80 CTSK (0.55) CTSKCTSSCTSL
SCHEMBL7024494 0.80 CTSK (0.55) CTSKCTSSCTSL

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 3 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
WO-1995023222-A1 IRREVERSIBLE CYSTEINE PROTEASE INHIBITORS CONTAINING VINYL GROUPS CONJUGATED TO ELECTRON WITHDRAWING GROUPS KHEPRI PHARMACEUTICALS, INC. (US) 1995-08-31 WO disclosed