SCHEMBL4823328

SCHEMBL4823328

CC(C)CC(NC(=O)c1cc2ccccc2o1)C(=O)N([C@H]1CCCNCC1=O)S(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 15/20 0.46
TAS1R3 Q7RTX0 2/20 0.46
TAS1R1 Q7RTX1 2/20 0.46
CTSL P07711 13/20 0.45
CTSS P25774 9/20 0.45
CTSB P07858 3/20 0.45
CTSV O60911 2/20 0.45
MMP2 P08253 1/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
CLK1 P49759 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL6591709 0.93 CTSK (0.46) CTSKTAS1R3TAS1R1CTSLCTSS
SCHEMBL6591711 0.93 CTSK (0.46) CTSKTAS1R3TAS1R1CTSLCTSS
SCHEMBL4766723 0.90 CTSK (0.46) CTSKTAS1R3TAS1R1CTSLCTSS
SCHEMBL4766721 0.90 CTSK (0.46) CTSKTAS1R3TAS1R1CTSLCTSS
SCHEMBL6404263 0.89 CTSK (0.50) CTSKTAS1R3TAS1R1CTSLCTSS
SCHEMBL4768953 0.89 CTSK (0.45) CTSKTAS1R3TAS1R1CTSLCTSS
SCHEMBL4768959 0.89 CTSK (0.45) CTSKTAS1R3TAS1R1CTSLCTSS
SCHEMBL4762063 0.88 TAS1R3 (0.47) CTSKTAS1R3TAS1R1CTSLCTSS
SCHEMBL4762061 0.88 TAS1R3 (0.47) CTSKTAS1R3TAS1R1CTSLCTSS
SCHEMBL4762139 0.87 CTSK (0.46) 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 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