SCHEMBL5971256

SCHEMBL5971256

O=C(NC(Cc1ccccc1)C(=O)N([C@H]1CCCNCC1=O)S(=O)(=O)c1ccccn1)c1cc2ccccc2o1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 19/20 0.55
CTSL P07711 15/20 0.55
CTSS P25774 12/20 0.55
CTSB P07858 6/20 0.55
CTSV O60911 2/20 0.46

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
SCHEMBL6593286 0.93 CTSK (0.48) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6206715 0.92 CTSK (0.51) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6594151 0.91 CTSK (0.47) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4821292 0.91 CTSK (0.56) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7009811 0.90 CTSK (0.46) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4770318 0.86 CTSL (0.47) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6590467 0.85 CTSK (0.42) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4763182 0.85 CTSK (0.45) CTSKCTSLCTSSCTSB
SCHEMBL4765723 0.85 CTSS (0.45) CTSKCTSLCTSSCTSB
SCHEMBL7426386 0.84 RAB9A (0.45) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1303281-A4 METHODS OF TREATMENT SMITHKLINE BEECHAM CORP (US) 2006-02-15 EP claimed
JP-2003531122-A 2003-10-21 JP claimed
EP-1303281-A1 METHODS OF TREATMENT SmithKline Beecham Corporation (US) 2003-04-23 EP claimed
WO-2001078734-A1 METHODS OF TREATMENT SMITHKLINE BEECHAM CORPORATION (US) 2001-10-25 WO claimed