SCHEMBL4924362

SCHEMBL4924362

C[C@@H](CC(N)=O)CC(=O)NC1CCCN(S(=O)(=O)c2ccccn2)CC1=O

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 18/20 0.56
CTSL P07711 16/20 0.56
CTSS P25774 12/20 0.56
CTSB P07858 6/20 0.56
CTSV O60911 1/20 0.56

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
SCHEMBL7633224 1.00 CTSK (0.56) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7422161 0.90 CTSK (0.57) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5099151 0.86 CTSK (0.55) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6810805 0.86 CTSK (0.55) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5099260 0.86 CTSK (0.55) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7038554 0.85 CTSK (0.57) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6836910 0.85 CTSK (0.57) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5105583 0.85 CTSK (0.57) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4686330 0.85 CTSK (0.60) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6214794 0.84 CTSK (0.57) 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 6 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
EP-1158986-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2002-03-27 EP disclosed
WO-2002017924-A1 METHOD OF TREATMENT SMITHKLINE BEECHAM CORPORATION (GB) 2002-03-07 WO 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