SCHEMBL6213680

SCHEMBL6213680

C[C@@H]1CC[C@H](NC(=O)CC(C)(C)CC(N)=O)C(=O)CN1S(=O)(=O)c1ccccn1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 20/20 0.56
CTSL P07711 19/20 0.56
CTSS P25774 18/20 0.56
CTSV O60911 1/20 0.52
CTSB P07858 1/20 0.52

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
SCHEMBL6214794 0.84 CTSK (0.57) CTSKCTSLCTSSCTSVCTSB
SCHEMBL4314607 0.81 CTSK (0.55) CTSKCTSLCTSSCTSVCTSB
SCHEMBL4314612 0.81 CTSK (0.69) CTSKCTSLCTSSCTSVCTSB
SCHEMBL3934296 0.78 CTSK (0.69) CTSKCTSLCTSSCTSVCTSB
SCHEMBL4323805 0.78 CTSK (0.69) CTSKCTSLCTSSCTSVCTSB
SCHEMBL4312951 0.78 CTSK (0.69) CTSKCTSLCTSSCTSVCTSB
SCHEMBL4316429 0.78 CTSK (0.69) CTSKCTSLCTSSCTSVCTSB
SCHEMBL4310385 0.78 CTSK (0.69) CTSKCTSLCTSSCTSVCTSB
SCHEMBL4310381 0.78 CTSK (0.56) CTSKCTSLCTSSCTSVCTSB
SCHEMBL4316425 0.78 CTSK (0.56) CTSKCTSLCTSSCTSVCTSB

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-1307203-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2005-08-17 EP disclosed
EP-1307203-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-05-07 EP disclosed
WO-2001070232-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-09-27 WO disclosed