SCHEMBL6601255

SCHEMBL6601255

[2H]c1cccc2c1CC(C(=O)NC1(C(=O)N([C@H]3CC[C@@H](C)NCC3=O)S(=O)(=O)c3ccccn3)CCCCC1)O2

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.30
CTSS P25774 2/20 0.30
CTSK P43235 2/20 0.30

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
SCHEMBL6601992 0.89
SCHEMBL6601774 0.77
SCHEMBL6211960 0.76 CTSK (0.40) CTSLCTSSCTSK
SCHEMBL6212431 0.76 RAB9A (0.31) CTSLCTSSCTSK
SCHEMBL6600629 0.74 HDAC3 (0.31) CTSLCTSSCTSK
SCHEMBL7010659 0.68 CTSK (0.34) CTSLCTSSCTSK
SCHEMBL7015499 0.68 CTSK (0.39) CTSLCTSSCTSK
SCHEMBL6603823 0.67 PSEN1 (0.30)
SCHEMBL4770293 0.66 CTSL (0.33) CTSLCTSSCTSK
SCHEMBL6601931 0.65

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-1392657-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2004-03-10 EP claimed
EP-1392657-A2 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2004-03-03 EP claimed
WO-2003053331-A2 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-07-03 WO claimed
EP-1392657-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2004-03-10 EP disclosed
EP-1392657-A2 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2004-03-03 EP disclosed
WO-2003053331-A2 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-07-03 WO disclosed