SCHEMBL6586366

SCHEMBL6586366

Cc1cccc(S(=O)(=O)N(C(=O)C[C@@H](C)CC(N)=O)C2CCCNCC2O)n1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
PARP1 P09874 1/20 0.30
IRAK4 Q9NWZ3 3/20 0.30

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
SCHEMBL6590526 0.90 REN (0.32) SLC6A2SLC6A4
SCHEMBL7428571 0.87 RPLP1 (0.33) IRAK4
SCHEMBL4763252 0.83
SCHEMBL6589700 0.83 SIGMAR1 (0.35) SLC6A2SLC6A4
SCHEMBL6586362 0.81 IRAK4 (0.31) IRAK4
SCHEMBL6590523 0.80 SLC6A2 (0.30) SLC6A2SLC6A4
SCHEMBL6590713 0.80 PSEN1 (0.31) SLC6A2SLC6A4
SCHEMBL6589570 0.77
SCHEMBL6590952 0.74
SCHEMBL4761997 0.73 IRAK4 (0.33) IRAK4

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-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
EP-1158986-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2002-03-27 EP 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