SCHEMBL6591183

SCHEMBL6591183

C[C@@H](CC(N)=O)CC(=O)N(C1CCCNCC1=O)S(=O)(=O)c1ccccc1S(C)(=O)=O

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.33
HSD11B1 P28845 1/20 0.31

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
SCHEMBL4763307 0.88 PSEN1 (0.32) CTSK
SCHEMBL4762038 0.88 ALDH1A1 (0.35) HSD11B1
SCHEMBL4767021 0.85
SCHEMBL4768444 0.84
SCHEMBL4765366 0.84 PSEN1 (0.33) CTSK
SCHEMBL4763001 0.83 PSEN1 (0.37) CTSK
SCHEMBL6591386 0.83 PSEN1 (0.36) CTSK
SCHEMBL4767027 0.83 PSEN1 (0.41)
SCHEMBL6589463 0.81
SCHEMBL4763252 0.81

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-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
WO-2001095911-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-12-20 WO disclosed