SCHEMBL6673185

SCHEMBL6673185

CC(C)C[C@@H](C=CS(C)(=O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NNC(=O)OC(C)(C)C)C(C)C

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 6/20 0.53
CASP3 P42574 7/20 0.43
PSMB8 P28062 1/20 0.37
PSMB10 P40306 1/20 0.37
PSMB2 P49721 1/20 0.37
CTSK P43235 3/20 0.37
CASP7 P55210 4/20 0.37
CASP1 P29466 3/20 0.37
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
CASP9 P55211 1/20 0.37
CASP4 P49662 1/20 0.36
CTSS P25774 2/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36

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
SCHEMBL6675161 1.00 PSMB5 (0.53) PSMB5CASP3PSMB8PSMB10PSMB2
SCHEMBL6673182 1.00 PSMB5 (0.53) PSMB5CASP3PSMB8PSMB10PSMB2
SCHEMBL8614260 0.93 PSMB5 (0.46) PSMB5CASP3CTSKCASP1FNTA
SCHEMBL8614263 0.93 PSMB5 (0.46) PSMB5CASP3CTSKCASP1FNTA
SCHEMBL6678268 0.88 PSMB5 (0.43) PSMB5CASP3CTSKFNTAFNTB
SCHEMBL6672754 0.85 PSMB5 (0.52) PSMB5CASP3CTSKCASP7CASP1
SCHEMBL7113794 0.85 PSMB5 (0.52) PSMB5CASP3CTSKCASP7CASP1
SCHEMBL6672753 0.85 PSMB5 (0.52) PSMB5CASP3CTSKCASP7CASP1
SCHEMBL6678275 0.82 PSMB5 (0.38) PSMB5CTSKFNTAFNTBCTSS
SCHEMBL13103136 0.81 PSMB5 (0.48) PSMB5CTSKCTSSCTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0839155-B1 CYSTEINE PROTEASE INHIBITORS FOR USE IN TREATMENT OF IgE MEDIATED ALLERGIC DISEASES MEDIVIR UK LTD (GB) 2004-10-13 EP claimed
EP-0839155-B1 CYSTEINE PROTEASE INHIBITORS FOR USE IN TREATMENT OF IgE MEDIATED ALLERGIC DISEASES MEDIVIR UK LTD (GB) 2004-10-13 EP disclosed
US-20030092067-A1 Substrates and inhibitors of proteolytic enzymes PEPTIDE THERAPEUTICS LIMITED 2003-05-15 US disclosed
US-6528275-B1 Screening for cleavage using combinatorial fluorescence resonance energy transfer (FRET) compounds of given formula; can use to accelerate drug discovery process PEPTIDE THERAPEUTICS LIMITED (GB) 2003-03-04 US disclosed
EP-0906333-B1 SUBSTRATES AND INHIBITORS OF PROTEOLYTIC ENZYMES MEDIVIR UK LTD (GB) 2001-07-25 EP disclosed
US-6034066-A ANTIALLERGENS PEPTIDE THERAPEUTICS LIMITED (GB) 2000-03-07 US disclosed
EP-0839155-A1 CYSTEINE PROTEASE INHIBITORS FOR USE IN TREATMENT OF IgE MEDIATED ALLERGIC DISEASES PEPTIDE THERAPEUTICS LIMITED (GB) 1998-05-06 EP disclosed
WO-1997004004-A1 CYSTEINE PROTEASE INHIBITORS FOR USE IN TREATMENT OF IgE MEDIATED ALLERGIC DISEASES PEPTIDE THERAPEUTICS LIMITED (GB) 1997-02-06 WO disclosed