SCHEMBL4766723

SCHEMBL4766723

CC(C)CC(NC(=O)c1cc2ccccc2o1)C(=O)N([C@H]1CCCNCC1=O)S(=O)(=O)c1ccccc1F

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 17/20 0.46
TAS1R3 Q7RTX0 2/20 0.46
TAS1R1 Q7RTX1 2/20 0.46
CTSL P07711 13/20 0.43
CTSS P25774 10/20 0.43
CTSB P07858 4/20 0.43
CTSV O60911 2/20 0.43

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
SCHEMBL4766721 1.00 CTSK (0.46) CTSKTAS1R3TAS1R1CTSLCTSS
SCHEMBL6593282 0.93 TAS1R3 (0.41) CTSKTAS1R3TAS1R1CTSLCTSS
SCHEMBL6593279 0.93 TAS1R3 (0.41) CTSKTAS1R3TAS1R1CTSLCTSS
SCHEMBL4770801 0.91 TAS1R3 (0.49) CTSKTAS1R3TAS1R1CTSLCTSS
SCHEMBL4770805 0.91 TAS1R3 (0.49) CTSKTAS1R3TAS1R1CTSLCTSS
SCHEMBL4823328 0.90 CTSK (0.46) CTSKTAS1R3TAS1R1CTSLCTSS
SCHEMBL4768797 0.90 CTSK (0.45) CTSKTAS1R3TAS1R1CTSLCTSS
SCHEMBL6404263 0.89 CTSK (0.50) CTSKTAS1R3TAS1R1CTSLCTSS
SCHEMBL4764937 0.89 TAS1R3 (0.37) CTSKTAS1R3TAS1R1CTSLCTSS
SCHEMBL4764936 0.89 TAS1R3 (0.37) CTSKTAS1R3TAS1R1CTSLCTSS

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 9 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-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