SCHEMBL4832039

SCHEMBL4832039

Cc1cccnc1S(=O)(=O)N1CCC[C@H](NC(=O)C(CC(C)C)NC(=O)c2cccs2)C(=O)C1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 17/20 0.59
CTSL P07711 16/20 0.59
CTSS P25774 13/20 0.59
CTSB P07858 7/20 0.57
CTSV O60911 2/20 0.57
HSPA5 P11021 1/20 0.45
HSPA2 P54652 1/20 0.45

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
SCHEMBL5096358 0.84 CTSK (0.53) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4765007 0.81 CTSK (0.54) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6629287 0.81 CTSK (0.68) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6629293 0.81 CTSK (0.68) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6629289 0.81 CTSK (0.68) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7005154 0.78 CTSK (0.69) CTSKCTSLCTSSCTSBCTSV
SCHEMBL14345781 0.78 CTSK (0.69) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5099147 0.76 CTSK (0.59) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4791980 0.76 CTSK (0.59) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7488463 0.76 CTSK (0.75) 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