Sugi Predict

Sugi Predict / Compounds / SCHEMBL15327558

SCHEMBL15327558

SCHEMBL15327558

N#CC1(NC(=O)O[C@H]2C[C@@H](S(=O)(=O)c3ccc(OCC(F)(F)F)cc3Cl)CN2C(=O)C2(c3cccc(Br)c3)CC2)CC1

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 20/20 0.61
▸ CTSS P25774 18/20 0.61
▸ CTSK P43235 1/20 0.48

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
SCHEMBL15327186 0.94 CTSL (0.64) CTSLCTSSCTSK
SCHEMBL15327230 0.93 CTSS (0.62) CTSLCTSSCTSK
SCHEMBL15327381 0.93 CTSL (0.64) CTSLCTSSCTSK
SCHEMBL15327315 0.93 CTSL (0.64) CTSLCTSSCTSK
SCHEMBL15327546 0.92 CTSL (0.64) CTSLCTSSCTSK
SCHEMBL15327295 0.90 CTSL (0.62) CTSLCTSSCTSK
SCHEMBL695905 0.90 CTSL (0.74) CTSLCTSSCTSK
SCHEMBL15327189 0.90 CTSL (0.68) CTSLCTSSCTSK
SCHEMBL15327273 0.90 CTSL (0.61) CTSLCTSSCTSK
SCHEMBL15327283 0.90 CTSL (0.64) CTSLCTSSCTSK

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 1 patent. 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 claimed