SCHEMBL7477927

SCHEMBL7477927

Cc1cccc(S(=O)(=O)N2CCCC(NC(=O)CCC(C)C)C(=O)C2)n1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 14/20 0.50
CTSL P07711 12/20 0.50
CTSS P25774 8/20 0.50
CTSB P07858 6/20 0.49
CTSV O60911 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL4686330 0.86 CTSK (0.60) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7039978 0.86 CTSK (0.46) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7039976 0.86 CTSK (0.44) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7477924 0.85 CTSK (0.49) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5092928 0.84 CTSK (0.56) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6630415 0.83 SMN1; SMN2 (0.39) CTSKCTSLCTSSCTSBSMN1; SMN2
SCHEMBL6625612 0.81 TP53 (0.48) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7432035 0.80 ALDH1A1 (0.48) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5092922 0.80 CTSK (0.46) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7431356 0.80 KMT2A (0.46) 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-1158986-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2002-03-27 EP claimed
EP-1158986-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2001-12-05 EP claimed
WO-2000038687-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-07-06 WO claimed