SCHEMBL6643541

SCHEMBL6643541

CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)NC1CCCN(S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)CC1=O

nearest known ligand 0.77

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 19/20 0.77
CTSL P07711 17/20 0.77
CTSS P25774 13/20 0.77
CTSB P07858 5/20 0.77
CTSV O60911 2/20 0.77

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
SCHEMBL6643547 1.00 CTSK (0.77) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6643546 1.00 CTSK (0.77) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5105285 0.94 CTSK (0.76) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5099237 0.94 CTSK (0.76) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4768473 0.94 CTSK (0.76) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5105280 0.94 CTSK (0.76) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4792549 0.92 CTSK (0.80) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6405567 0.92 CTSK (0.80) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5093147 0.89 CTSK (0.74) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5093145 0.89 CTSK (0.74) 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 claimed
EP-1307204-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2003-05-07 EP claimed
WO-2001095911-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-12-20 WO claimed