SCHEMBL4840834

SCHEMBL4840834

CC(C)CC(NC(=O)c1cc2cc(F)c(F)cc2o1)C(=O)N([C@H]1CCCNCC1=O)S(=O)(=O)c1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 19/20 0.47
CTSL P07711 15/20 0.47
CTSS P25774 12/20 0.47
CTSB P07858 5/20 0.47
CTSV O60911 2/20 0.47

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
SCHEMBL4761931 0.93 CTSK (0.48) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4821292 0.92 CTSK (0.56) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7425840 0.89 TAS1R3 (0.48) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4827476 0.85 CTSK (0.41) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6593286 0.84 CTSK (0.48) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4763041 0.83 CTSK (0.47) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6206715 0.83 CTSK (0.51) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4766723 0.83 CTSK (0.46) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4766721 0.83 CTSK (0.46) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5971256 0.83 CTSK (0.55) 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