SCHEMBL7318976

SCHEMBL7318976

CC(=O)O[C@@H]1NC(=O)[C@H]1NC(=O)[C@H](Cc1cccs1)NC(=O)CCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 17/20 0.59
CTSL P07711 12/20 0.59
CTSS P25774 12/20 0.59
CTSB P07858 7/20 0.53
POLB P06746 1/20 0.39

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
SCHEMBL7161878 0.89 CTSK (0.72) CTSKCTSLCTSSCTSB
SCHEMBL7442096 0.86 CTSK (0.80) CTSKCTSLCTSSCTSB
SCHEMBL7322571 0.83 CTSK (0.62) CTSKCTSLCTSSCTSB
SCHEMBL7318397 0.83 CTSK (0.62) CTSKCTSLCTSSCTSB
SCHEMBL7443973 0.81 CTSK (0.64) CTSKCTSLCTSSCTSBPOLB
SCHEMBL5934874 0.80 CTSK (0.57) CTSKCTSLCTSSCTSB
SCHEMBL8402015 0.79 CTSK (0.76) CTSKCTSLCTSSCTSB
SCHEMBL7448485 0.79 CTSK (0.54) CTSKCTSLCTSSCTSB
SCHEMBL8086163 0.78 CTSK (0.79) CTSKCTSLCTSSCTSB
SCHEMBL7434060 0.77 CTSK (0.63) CTSKCTSLCTSSCTSB

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-6232305-B1 ANTICANCER AGENTS; BONE DISORDERS; ANTIARTHRITIC AGENTS; RESPIRATORY SYSTEM DISORDERS NAEJA PHARMACEUTICAL INC. (CA) 2001-05-15 US disclosed
EP-0961779-A1 SUBSTITUTED AMINO BICYCLIC-$g(b)-LACTAM PENAM AND CEPHAM DERIVATIVES AS CYSTEINE PROTEASE INHIBITORS SYNPHAR LABORATORIES INC. (CA) 1999-12-08 EP disclosed
WO-1998032766-A1 SUBSTITUTED AMINO BICYCLIC-β-LACTAM PENAM AND CEPHAM DERIVATIVES AS CYSTEINE PROTEASE INHIBITORS SYNPHAR LABORATORIES INC. (US) 1998-07-30 WO disclosed