Sugi Predict

Sugi Predict / Compounds / SCHEMBL5451425

SCHEMBL5451425

SCHEMBL5451425

CC1(C)CN(C[C@@H](NC(=O)O[C@@H](CC2CCCCC2)C(=O)N2CCOCC2)C2CC2)c2ccc(F)cc21.C[C@@H](CN1CC(C)(C)c2cc(F)ccc21)NC(=O)O[C@@H](CC1CCCCC1)C(=O)N1CCC1

nearest known ligand 0.91

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 20/20 0.91
▸ CTSL P07711 3/20 0.66
▸ CTSK P43235 3/20 0.66

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
SCHEMBL3024209 0.95 CTSS (1.00) CTSSCTSLCTSK
SCHEMBL3024208 0.95 CTSS (1.00) CTSSCTSLCTSK
SCHEMBL3024205 0.95 CTSS (1.00) CTSSCTSLCTSK
SCHEMBL3021814 0.91 CTSS (1.00) CTSSCTSLCTSK
SCHEMBL3021810 0.91 CTSS (1.00) CTSSCTSLCTSK
SCHEMBL3021807 0.91 CTSS (1.00) CTSSCTSLCTSK
SCHEMBL3022810 0.90 CTSS (1.00) CTSSCTSLCTSK
SCHEMBL3011651 0.90 CTSS (1.00) CTSSCTSLCTSK
SCHEMBL3022808 0.90 CTSS (1.00) CTSSCTSLCTSK
SCHEMBL3011649 0.90 CTSS (1.00) CTSSCTSLCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1658267-A4 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2007-08-01 — — EP claimed
JP-2007502836-A — — 2007-02-15 — — JP claimed
EP-1658267-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2006-05-24 — — EP claimed
WO-2005034848-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2005-04-21 — — WO claimed