Sugi Predict

Sugi Predict / Compounds / SCHEMBL695622

SCHEMBL695622

SCHEMBL695622

CC(C)(CS(=O)(=O)c1ccccc1Cl)C(=O)[C@@H]1C[C@@H](C(=O)O)N(C2CC2(C#N)C(N)=O)C1

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 18/20 0.37
▸ CTSL P07711 6/20 0.37
▸ CTSB P07858 3/20 0.37
▸ CTSK P43235 1/20 0.34

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
SCHEMBL696596 0.91 LGMN (0.33) CTSSCTSLCTSBCTSK
SCHEMBL693779 0.89 CTSL (0.36) CTSSCTSLCTSBCTSK
SCHEMBL694304 0.85 CTSS (0.42) CTSSCTSLCTSBCTSK
SCHEMBL695657 0.84 CTSS (0.38) CTSSCTSLCTSBCTSK
SCHEMBL695639 0.84 CTSS (0.39) CTSSCTSLCTSB
SCHEMBL696222 0.83 CTSS (0.37) CTSSCTSLCTSBCTSK
SCHEMBL697726 0.82 CTSS (0.50) CTSSCTSLCTSB
Hydrochloric Acid SCHEMBL694103 0.81 CTSS (0.49) CTSSCTSLCTSB
SCHEMBL697241 0.81 CTSL (0.37) CTSSCTSLCTSB
SCHEMBL695079 0.79 CTSS (0.36) CTSSCTSLCTSB

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