SCHEMBL6593286

SCHEMBL6593286

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

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 19/20 0.48
CTSL P07711 15/20 0.48
CTSS P25774 12/20 0.48
CTSB P07858 6/20 0.48
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
SCHEMBL5971256 0.93 CTSK (0.55) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4821292 0.92 CTSK (0.56) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6206715 0.92 CTSK (0.51) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7009811 0.92 CTSK (0.46) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6594151 0.90 CTSK (0.47) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6590467 0.85 CTSK (0.42) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4761931 0.85 CTSK (0.48) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4840834 0.84 CTSK (0.47) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7425840 0.84 TAS1R3 (0.48) CTSKCTSLCTSSCTSBCTSV
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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1307204-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2004-06-02 EP disclosed
EP-1307204-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2003-05-07 EP disclosed
WO-2001095911-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-12-20 WO disclosed