SCHEMBL4770083

SCHEMBL4770083

COc1ccc2c(C)c(C(=O)NC(CC(C)C)C(=O)N[C@H]3CCCN(S(=O)(=O)c4cccc[n+]4[O-])CC3=O)oc2c1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 18/20 0.50
CTSL P07711 15/20 0.50
CTSS P25774 14/20 0.50
CTSB P07858 7/20 0.50
CTSV O60911 2/20 0.50

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
SCHEMBL4770612 0.91 CTSK (0.51) CTSKCTSLCTSSCTSBCTSV
SCHEMBL14345775 0.91 CTSK (0.54) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4763068 0.91 CTSK (0.54) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4770025 0.88 CTSK (0.51) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4770502 0.86 CTSK (0.62) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6601173 0.86 CTSK (0.55) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5106011 0.84 CTSK (0.55) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5106009 0.84 CTSK (0.55) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4763047 0.84 CTSK (0.53) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4686493 0.83 CTSK (0.50) 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