SCHEMBL6602296

SCHEMBL6602296

[2H]C1NCCC[C@]([2H])(N(C(=O)[CH]CC(C)C)S(=O)(=O)c2ccccn2)C1=O

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.32
CTSS P25774 2/20 0.32
CTSK P43235 2/20 0.32
PTGDR2 Q9Y5Y4 1/20 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
SCHEMBL6900187 0.93 CTSL (0.31) CTSLCTSSCTSKPTGDR2
SCHEMBL5971472 0.92
SCHEMBL7010236 0.85
SCHEMBL4761916 0.83 PSEN1 (0.33) CTSLCTSSCTSKPTGDR2
SCHEMBL6591072 0.80 PTGDR2 (0.33) PTGDR2
SCHEMBL4762955 0.75 PSEN1 (0.32)
SCHEMBL6895405 0.75
SCHEMBL4770293 0.74 CTSL (0.33) CTSLCTSSCTSKPTGDR2
SCHEMBL4768878 0.74 CTSL (0.31) CTSLCTSSCTSK
SCHEMBL6901225 0.73 CTSK (0.36) CTSLCTSSCTSK

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1231922-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2004-06-23 EP disclosed
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
EP-1231923-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2003-05-14 EP disclosed
EP-1231922-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2002-08-21 EP disclosed
EP-1231923-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2002-08-21 EP disclosed
WO-2001034157-A9 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2002-05-10 WO disclosed
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-2001034159-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-05-17 WO disclosed
WO-2001034157-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-05-17 WO disclosed
WO-2000038687-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-07-06 WO disclosed