SCHEMBL4765007

SCHEMBL4765007

CC(C)CC(NC(=O)c1cccs1)C(=O)N[C@H]1CCCN(S(=O)(=O)c2cccc[n+]2[O-])CC1=O

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 19/20 0.54
CTSL P07711 13/20 0.52
CTSS P25774 13/20 0.52
CTSB P07858 6/20 0.52
CTSV O60911 2/20 0.52

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
SCHEMBL7427143 0.89 CTSK (0.53) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7006534 0.89 CTSK (0.52) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7484143 0.88 CTSK (0.53) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7565605 0.87 CTSK (0.57) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4792835 0.86 CTSK (0.56) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7426616 0.85 CTSK (0.44) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4793605 0.84 CTSK (0.56) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5105914 0.84 CTSK (0.55) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7179012 0.83 CTSK (0.63) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7485444 0.83 CTSK (0.53) CTSKCTSLCTSSCTSBCTSV

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