SCHEMBL6672754

SCHEMBL6672754

CC(C)C[C@@H](C=CS(=O)(=O)c1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](NNC(=O)OC(C)(C)C)C(C)C

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 5/20 0.52
CTSL P07711 4/20 0.51
CASP1 P29466 1/20 0.51
CASP3 P42574 7/20 0.47
CTSK P43235 3/20 0.46
CTSB P07858 2/20 0.46
CTSH P09668 1/20 0.46
CTSC P53634 1/20 0.46
CTSS P25774 1/20 0.46
CASP7 P55210 3/20 0.45

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
SCHEMBL6672753 1.00 PSMB5 (0.52) PSMB5CTSLCASP1CASP3CTSK
SCHEMBL7113794 1.00 PSMB5 (0.52) PSMB5CTSLCASP1CASP3CTSK
SCHEMBL7110567 0.89 PSMB5 (0.44) PSMB5CTSLCASP1CASP3CTSK
SCHEMBL7110566 0.89 PSMB5 (0.44) PSMB5CTSLCASP1CASP3CTSK
SCHEMBL8614263 0.86 PSMB5 (0.46) PSMB5CTSLCASP1CASP3CTSK
SCHEMBL8614260 0.86 PSMB5 (0.46) PSMB5CTSLCASP1CASP3CTSK
SCHEMBL6673182 0.85 PSMB5 (0.53) PSMB5CTSLCASP1CASP3CTSK
SCHEMBL6675161 0.85 PSMB5 (0.53) PSMB5CTSLCASP1CASP3CTSK
SCHEMBL6673185 0.85 PSMB5 (0.53) PSMB5CTSLCASP1CASP3CTSK
SCHEMBL6678268 0.81 PSMB5 (0.43) PSMB5CTSLCASP3CTSKCTSB

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-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