SCHEMBL7449155

SCHEMBL7449155

CC(=O)O[C@@H]1NC(=O)[C@H]1NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSL P07711 11/20 0.60
CTSK P43235 11/20 0.60
CTSS P25774 7/20 0.60
CTSB P07858 1/20 0.51
NPY5R Q15761 1/20 0.50
POLB P06746 1/20 0.46
F2 P00734 4/20 0.46
ALDH1A1 P00352 1/20 0.44
MCL1 Q07820 1/20 0.44
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43

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
SCHEMBL8533828 0.86 ALDH1A1 (0.61) CTSLCTSKCTSSCTSBALDH1A1
SCHEMBL7452671 0.81 CTSK (0.51) CTSLCTSKCTSSCTSBPOLB
SCHEMBL7444712 0.81 CTSK (0.51) CTSLCTSKCTSSCTSBPOLB
SCHEMBL8086163 0.79 CTSK (0.79) CTSLCTSKCTSSCTSB
SCHEMBL7318397 0.79 CTSK (0.62) CTSLCTSKCTSSCTSBMMP9
SCHEMBL7447893 0.78 CTSK (0.61) CTSLCTSKCTSSCTSBMMP2
SCHEMBL7444722 0.78 CTSK (0.83) CTSLCTSKCTSSCTSBF2
SCHEMBL7161878 0.77 CTSK (0.72) CTSLCTSKCTSSCTSB
SCHEMBL7452773 0.77 CTSK (0.53) CTSLCTSKCTSSCTSB
SCHEMBL7290941 0.76 MMP2 (0.71) NPY5RPOLBF2ALDH1A1MMP2

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
EP-0817795-B1 NOVEL 4-SUBSTITUTED-3-PEPTIDYL-AZETIDIN-2-ONE DERIVATIVES USEFUL AS CYSTEINE PROTEINASE INHIBITOR NAEJA PHARMACEUTICAL INC (CA) 2000-11-15 EP claimed
US-5986108-A ENZYME INHIBITORS SYNPHAR LABORATORIES, INC. (CA) 1999-11-16 US claimed
EP-0817795-B1 NOVEL 4-SUBSTITUTED-3-PEPTIDYL-AZETIDIN-2-ONE DERIVATIVES USEFUL AS CYSTEINE PROTEINASE INHIBITOR NAEJA PHARMACEUTICAL INC (CA) 2000-11-15 EP disclosed
US-5986108-A ENZYME INHIBITORS SYNPHAR LABORATORIES, INC. (CA) 1999-11-16 US disclosed
EP-0817795-A1 NOVEL 4-SUBSTITUTED-3-PEPTIDYL-AZETIDIN-2-ONE DERIVATIVES USEFUL AS CYSTEINE PROTEINASE INHIBITOR SYNPHAR LABORATORIES INC. (CA) 1998-01-14 EP disclosed
WO-1996032408-A1 NOVEL 4-SUBSTITUTED-3-PEPTIDYL-AZETIDIN-2-ONE DERIVATIVES USEFUL AS CYSTEINE PROTEINASE INHIBITOR SYNPHAR LABORATORIES, INC. (US) 1996-10-17 WO disclosed