Sugi Predict

Sugi Predict / Compounds / SCHEMBL7543883

SCHEMBL7543883

SCHEMBL7543883

CC(C)(C)C[C@H](NC(=O)N1CCOCC1)C(=O)N[C@H](C#N)COCc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 20/20 1.00
▸ CTSL P07711 2/20 0.72
▸ CTSB P07858 2/20 0.72

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
SCHEMBL7394751 0.90 CTSS (0.82) CTSSCTSLCTSB
SCHEMBL7567569 0.86 CTSS (1.00) CTSSCTSLCTSB
SCHEMBL3898108 0.85 CTSS (0.74) CTSSCTSLCTSB
SCHEMBL7394849 0.85 CTSS (0.77) CTSSCTSLCTSB
SCHEMBL1558039 0.83 CTSS (1.00) CTSSCTSLCTSB
SCHEMBL1558042 0.83 CTSS (1.00) CTSSCTSLCTSB
SCHEMBL7396570 0.80 CTSS (0.85) CTSSCTSLCTSB
SCHEMBL3898211 0.80 CTSS (0.67) CTSSCTSLCTSB
SCHEMBL3896947 0.80 CTSS (0.67) CTSSCTSLCTSB
SCHEMBL13938106 0.80 CTSS (0.70) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1159273-A1 COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CATHEPSIN S BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2001-12-05 — — EP disclosed
WO-2000051998-A1 COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CATHEPSIN S BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2000-09-08 — — WO disclosed