SCHEMBL4793135

SCHEMBL4793135

CC(C)CC(NC(=O)c1nccc2ccccc12)C(=O)N[C@H]1CCCN(S(=O)(=O)c2ccccn2)CC1=O

nearest known ligand 0.83

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 18/20 0.83
CTSL P07711 18/20 0.83
CTSS P25774 14/20 0.83
CTSB P07858 6/20 0.75
CTSV O60911 1/20 0.73

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
SCHEMBL5971184 0.87 CTSK (0.83) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7426487 0.85 CTSK (0.79) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4791582 0.85 CTSK (1.00) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7533565 0.85 CTSK (0.61) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7478030 0.85 CTSK (1.00) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7491445 0.85 CTSK (0.77) CTSKCTSLCTSSCTSBCTSV
SCHEMBL14131370 0.84 CTSK (1.00) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7488463 0.84 CTSK (0.75) CTSKCTSLCTSSCTSBCTSV
SCHEMBL8246857 0.84 CTSK (1.00) CTSKCTSLCTSSCTSBCTSV
SCHEMBL15281233 0.84 CTSK (1.00) 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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1303281-A4 METHODS OF TREATMENT SMITHKLINE BEECHAM CORP (US) 2006-02-15 EP claimed
JP-2003531122-A 2003-10-21 JP claimed
EP-1303281-A1 METHODS OF TREATMENT SmithKline Beecham Corporation (US) 2003-04-23 EP claimed
WO-2001078734-A1 METHODS OF TREATMENT SMITHKLINE BEECHAM CORPORATION (US) 2001-10-25 WO claimed
EP-1320370-A4 METHOD OF TREATMENT SMITHKLINE BEECHAM CORP (US) 2008-10-22 EP disclosed
EP-1307204-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2004-06-02 EP disclosed
EP-1320370-A1 METHOD OF TREATMENT SmithKline Beecham Corporation (US) 2003-06-25 EP disclosed
EP-1307204-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2003-05-07 EP disclosed
EP-1158986-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2002-03-27 EP disclosed
WO-2002017924-A1 METHOD OF TREATMENT SMITHKLINE BEECHAM CORPORATION (GB) 2002-03-07 WO disclosed
WO-2001095911-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-12-20 WO 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