SCHEMBL7484143

SCHEMBL7484143

CC(C)CC(NC(=O)c1ccsc1)C(=O)N[C@H]1CCCN(S(=O)(=O)c2cccc[n+]2[O-])CC1=O

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 18/20 0.53
CTSL P07711 10/20 0.52
CTSS P25774 10/20 0.52
CTSB P07858 5/20 0.51
CTSV O60911 1/20 0.50
TAOK1 Q7L7X3 1/20 0.40
TAOK3 Q9H2K8 1/20 0.40

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
SCHEMBL7148228 0.89 CTSK (0.51) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4792835 0.88 CTSK (0.56) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4765007 0.88 CTSK (0.54) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5105914 0.86 CTSK (0.55) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7427143 0.86 CTSK (0.53) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4768559 0.84 CTSK (0.52) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7565605 0.84 CTSK (0.57) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4793605 0.84 CTSK (0.56) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7485444 0.82 CTSK (0.53) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7179012 0.82 CTSK (0.63) CTSKCTSLCTSSCTSBCTSV

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
EP-1158986-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2002-03-27 EP disclosed
EP-1158986-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2001-12-05 EP disclosed
WO-2000038687-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-07-06 WO disclosed