SCHEMBL6063005

SCHEMBL6063005

CS(=O)(=O)c1ccc(-c2cccc(CC(CS(=O)(=O)Cc3ccccc3OC(F)F)C(=O)NCC#N)c2)c(N)c1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 13/20 0.38
▸ CTSB P07858 12/20 0.38
▸ CTSL P07711 11/20 0.38
▸ CTSK P43235 9/20 0.38
▸ CTSV O60911 3/20 0.36
▸ CTSF Q9UBX1 2/20 0.35
▸ MAPK8 P45983 1/20 0.35
▸ MAPK9 P45984 1/20 0.35
▸ MAPK10 P53779 1/20 0.35

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
SCHEMBL5424530 0.87 CTSS (0.49) CTSSCTSBCTSLCTSKCTSV
SCHEMBL6063001 0.83 CTSS (0.38) CTSSCTSBCTSLCTSKCTSF
SCHEMBL5418134 0.82 CTSS (0.45) CTSSCTSBCTSLCTSKCTSV
SCHEMBL5416025 0.82 CTSS (0.48) CTSSCTSBCTSLCTSKCTSV
SCHEMBL5418091 0.79 CTSS (0.43) CTSSCTSBCTSLCTSKCTSV
SCHEMBL5421069 0.79 CTSS (0.42) CTSSCTSBCTSLCTSK
SCHEMBL5418267 0.78 CTSS (0.43) CTSSCTSBCTSLCTSK
SCHEMBL6062041 0.73 CTSC (0.41) CTSSCTSBCTSLCTSK
SCHEMBL5426376 0.73 CTSS (0.60) CTSSCTSBCTSLCTSKCTSV
SCHEMBL6651832 0.72 CTSS (0.40) CTSSCTSBCTSLCTSK

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1694357-A1 USE OF CATHEPSIN S INHIBITORS FOR TREATING AN IMMUNE RESPONSE CAUSED BY ADMINISTRATION OF A SMALL MOLECULE THERAPEUTIC OR BIOLOGIC AXYS PHARMACEUTICALS, INC. (US) 2006-08-30 — — EP disclosed
WO-2005058348-A1 USE OF CATHEPSIN S INHIBITORS FOR TREATING AN IMMUNE RESPONSE CAUSED BY ADMINISTRATION OF A SMALL MOLECULE THERAPEUTIC OR BIOLOGIC AXYS PHARMACEUTICALS, INC. (US) 2005-06-30 — — WO disclosed
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