SCHEMBL7425666

SCHEMBL7425666

CC(C)C[CH]C(=O)N(C1CCCNC[C@@H]1O)S(=O)(=O)c1nccs1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.32
SCN9A Q15858 3/20 0.32
EP300 Q09472 1/20 0.30
MGLL Q99685 1/20 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
SCHEMBL6588480 0.91 IRAK4 (0.31)
SCHEMBL4768508 0.83 EP300 (0.30) EP300
SCHEMBL6591072 0.81 PTGDR2 (0.33) EP300
SCHEMBL6594372 0.80 RPLP1 (0.38)
SCHEMBL6589335 0.79
SCHEMBL6590523 0.77 SLC6A2 (0.30)
SCHEMBL6590675 0.75 TNKS (0.31)
SCHEMBL4765922 0.74
SCHEMBL5971336 0.73 IRAK4 (0.33)
SCHEMBL6589694 0.71 SIGMAR1 (0.34)

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