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SCHEMBL694955

SCHEMBL694955

Cc1cc(N2CC(S(=O)(=O)c3ccccc3C(F)(F)F)CC2C(=O)O)n(C(C)C)n1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 20/20 0.53
▸ CTSL P07711 5/20 0.43
▸ CTSK P43235 5/20 0.43
▸ CTSB P07858 4/20 0.43

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
SCHEMBL694954 1.00 CTSS (0.53) CTSSCTSLCTSKCTSB
SCHEMBL696802 0.91 CTSS (0.48) CTSSCTSLCTSKCTSB
SCHEMBL696801 0.91 CTSS (0.48) CTSSCTSLCTSKCTSB
SCHEMBL696800 0.91 CTSS (0.48) CTSSCTSLCTSKCTSB
SCHEMBL695885 0.88 CTSS (0.56) CTSSCTSLCTSKCTSB
SCHEMBL695884 0.88 CTSS (0.56) CTSSCTSLCTSKCTSB
SCHEMBL13148584 0.88 CTSS (0.48) CTSSCTSLCTSKCTSB
SCHEMBL694804 0.87 CTSS (0.55) CTSSCTSLCTSKCTSB
SCHEMBL694805 0.87 CTSS (0.55) CTSSCTSLCTSKCTSB
SCHEMBL696033 0.87 CTSS (0.51) CTSSCTSLCTSKCTSB

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-2421826-B1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS HOFFMANN LA ROCHE (CH) 2013-10-23 — — EP disclosed
EP-2421826-A1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS F. Hoffmann-La Roche AG (CH) 2012-02-29 — — EP disclosed
WO-2010121918-A1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-10-28 — — WO disclosed