SCHEMBL6629289

SCHEMBL6629289

COc1ccc2oc(C(=O)NC(CC(C)C)C(=O)N[C@H]3CCCN(S(=O)(=O)c4ncccc4C)CC3=O)cc2c1

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 19/20 0.68
CTSL P07711 17/20 0.68
CTSS P25774 13/20 0.68
CTSB P07858 6/20 0.68
CTSV O60911 2/20 0.68

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
SCHEMBL6629293 1.00 CTSK (0.68) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6629287 1.00 CTSK (0.68) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4767207 0.90 CTSK (0.84) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5096581 0.87 CTSK (0.65) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5096586 0.87 CTSK (0.65) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5099744 0.86 CTSK (0.65) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5099749 0.86 CTSK (0.65) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6628202 0.86 CTSK (0.61) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6628192 0.86 CTSK (0.61) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6628197 0.86 CTSK (0.61) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1307204-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2004-06-02 EP disclosed
EP-1307204-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2003-05-07 EP disclosed
WO-2001095911-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-12-20 WO disclosed