Sugi Predict

Sugi Predict / Compounds / SCHEMBL696620

SCHEMBL696620

SCHEMBL696620

CC(C)(C)OC(=O)NC1CCC(CC(=O)N2C[C@H](S(=O)(=O)c3ccc(OCC(F)(F)F)cc3Cl)C[C@H]2C(=O)N(C#N)C2CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 20/20 0.47
▸ CTSL P07711 16/20 0.47
▸ CTSB P07858 4/20 0.45
▸ CTSK P43235 4/20 0.45

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
SCHEMBL709061 0.87 CTSS (0.62) CTSSCTSLCTSK
SCHEMBL2609229 0.87 CTSS (0.62) CTSSCTSLCTSK
SCHEMBL709062 0.87 CTSS (0.62) CTSSCTSLCTSK
SCHEMBL695175 0.86 CTSS (0.55) CTSSCTSLCTSBCTSK
SCHEMBL707504 0.83 CTSS (0.49) CTSSCTSLCTSBCTSK
SCHEMBL3061052 0.81 CTSS (0.50) CTSSCTSLCTSBCTSK
SCHEMBL695522 0.80 CTSS (0.53) CTSSCTSLCTSBCTSK
SCHEMBL2609231 0.80 CTSS (0.64) CTSSCTSLCTSBCTSK
SCHEMBL695960 0.80 CTSS (0.64) CTSSCTSLCTSBCTSK
SCHEMBL695075 0.78 CTSS (0.46) CTSSCTSLCTSBCTSK

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-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