SCHEMBL6630641

SCHEMBL6630641

CCC(NC(=O)C(CS(=O)(=O)Cc1ccccc1)NC(=O)N1CCOCC1)C(=O)c1nnc(C(C)(C)C)o1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSS P25774 15/20 0.52
CTSL P07711 6/20 0.40
CTSB P07858 5/20 0.40
CTSK P43235 3/20 0.40
CTSH P09668 1/20 0.40
CTSC P53634 1/20 0.40

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
SCHEMBL14427114 1.00 CTSS (0.52) CTSSCTSLCTSBCTSKCTSH
SCHEMBL14488993 0.89 CTSS (0.51) CTSSCTSLCTSBCTSKCTSH
SCHEMBL6636267 0.89 CTSS (0.51) CTSSCTSLCTSBCTSKCTSH
SCHEMBL14427100 0.85 CTSS (0.51) CTSSCTSLCTSBCTSKCTSH
SCHEMBL7043174 0.83 CTSS (0.51) CTSS
SCHEMBL14427108 0.83 CTSS (0.51) CTSSCTSLCTSBCTSKCTSH
SCHEMBL14427112 0.82 CTSS (0.51) CTSSCTSLCTSBCTSKCTSH
SCHEMBL5387787 0.82 ELANE (0.40) CTSSCTSLCTSBCTSKCTSH
SCHEMBL14427088 0.81 CTSS (0.53) CTSSCTSLCTSBCTSKCTSH
SCHEMBL14427076 0.81 CTSS (0.53) CTSSCTSLCTSBCTSKCTSH

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-1446392-A1 OLIGOPEPTIDES AND COMPOSITIONS CONTAINING THEM AS CATHEPSIN S INHIBITORS Aventis Pharmaceuticals, Inc. (US) 2004-08-18 EP claimed
WO-2003042197-A1 OLIGOPEPTIDES AND COMPOSITIONS CONTAINING THEM AS CATHEPSIN S INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2003-05-22 WO claimed
EP-1446392-A1 OLIGOPEPTIDES AND COMPOSITIONS CONTAINING THEM AS CATHEPSIN S INHIBITORS Aventis Pharmaceuticals, Inc. (US) 2004-08-18 EP disclosed
WO-2003042197-A1 OLIGOPEPTIDES AND COMPOSITIONS CONTAINING THEM AS CATHEPSIN S INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2003-05-22 WO disclosed