SCHEMBL7005154

SCHEMBL7005154

CC(C)CC(NC(=O)c1cc2sccc2s1)C(=O)N[C@H]1CCCN(S(=O)(=O)c2ccccn2)CC1=O

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 18/20 0.69
CTSL P07711 18/20 0.69
CTSS P25774 14/20 0.69
CTSB P07858 7/20 0.69
CTSV O60911 2/20 0.69

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
SCHEMBL14345781 1.00 CTSK (0.69) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7488463 0.90 CTSK (0.75) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4689766 0.89 CTSK (0.62) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6836907 0.88 CTSK (0.70) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6842082 0.88 CTSK (0.70) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7451420 0.88 CTSK (0.72) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6836936 0.88 CTSK (0.69) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7112655 0.86 CTSK (0.52) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6636938 0.85 CTSK (0.50) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6636928 0.85 CTSK (0.50) 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-1235577-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2003-04-09 EP disclosed
EP-1235577-A2 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2002-09-04 EP disclosed
WO-2001034565-A2 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-05-17 WO disclosed