SCHEMBL7566866

SCHEMBL7566866

Cc1cccc(S(=O)(=O)N2CCCC(NC(=O)C(CC(C)C)NC(=O)OC(C)(C)C)C(O)C2)n1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 10/20 0.44
CTSL P07711 8/20 0.44
CTSS P25774 4/20 0.44
CTSB P07858 3/20 0.42
CTSV O60911 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CACNA1B Q00975 3/20 0.38
MAPK1 P28482 1/20 0.38
CCKAR P32238 1/20 0.37

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
SCHEMBL5096540 1.00 CTSK (0.44) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5096536 1.00 CTSK (0.44) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6762056 0.90 CTSK (0.47) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6762057 0.90 CTSK (0.47) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6740606 0.89 CTSK (0.52) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6740612 0.89 CTSK (0.52) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7036592 0.86 CTSK (0.51) CTSKCTSLCTSSKMT2ACACNA1B
SCHEMBL4902191 0.86 CTSK (0.51) CTSKCTSLCTSSKMT2ACACNA1B
SCHEMBL5099105 0.84 CTSK (0.47) CTSKMAPK1
SCHEMBL5099103 0.84 CTSK (0.47) CTSKMAPK1

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