SCHEMBL4768523

SCHEMBL4768523

CC(C)CC(NC(=O)c1ccc(-c2ccc(Cl)cc2)o1)C(=O)N([C@H]1CCCNCC1=O)S(=O)(=O)c1ccccn1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 15/20 0.39
CTSL P07711 14/20 0.39
CTSS P25774 10/20 0.39
CTSB P07858 3/20 0.39
CTSV O60911 2/20 0.39
MMP13 P45452 1/20 0.37
MAPKAPK2 P49137 1/20 0.37

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
SCHEMBL4763162 0.91 CTSK (0.39) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4825093 0.88 CYP1A2 (0.46) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4827476 0.88 CTSK (0.41) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4821292 0.84 CTSK (0.56) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4763077 0.82 CTSK (0.39) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4840834 0.82 CTSK (0.47) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7425840 0.81 TAS1R3 (0.48) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4761931 0.81 CTSK (0.48) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4762204 0.81 CTSK (0.45) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4765494 0.81 CTSK (0.40) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1320370-A4 METHOD OF TREATMENT SMITHKLINE BEECHAM CORP (US) 2008-10-22 EP disclosed
EP-1320370-A1 METHOD OF TREATMENT SmithKline Beecham Corporation (US) 2003-06-25 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
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