SCHEMBL4770293

SCHEMBL4770293

CC(C)C[CH]C(=O)N([C@@H]1CC[C@@H](C)NCC1=O)S(=O)(=O)c1ccccn1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSL P07711 3/20 0.33
CTSS P25774 3/20 0.33
CTSK P43235 3/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.31
EP300 Q09472 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
SCHEMBL4768808 0.91
SCHEMBL4762019 0.91
SCHEMBL6214132 0.91
SCHEMBL6214191 0.91
SCHEMBL7010659 0.86 CTSK (0.34) CTSLCTSSCTSKPTGDR2
SCHEMBL4761916 0.85 PSEN1 (0.33) CTSLCTSSCTSKPTGDR2EP300
SCHEMBL6213210 0.84
SCHEMBL4768878 0.83 CTSL (0.31) CTSLCTSSCTSK
SCHEMBL7425879 0.80 EP300 (0.33) EP300
SCHEMBL4762955 0.77 PSEN1 (0.32)

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-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
WO-2002017924-A1 METHOD OF TREATMENT SMITHKLINE BEECHAM CORPORATION (GB) 2002-03-07 WO disclosed