SCHEMBL5154110

SCHEMBL5154110

N#CC1(NC(=O)[C@H](CS(=O)(=O)C(=O)c2ccccn2)N[C@@H](c2ccccc2F)C(F)(F)F)CC1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSS P25774 20/20 0.56
CTSB P07858 18/20 0.56
CTSL P07711 17/20 0.56
CTSK P43235 14/20 0.56

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
SCHEMBL1272850 0.85 CTSS (0.63) CTSSCTSBCTSLCTSK
SCHEMBL1273524 0.85 CTSS (0.63) CTSSCTSBCTSLCTSK
SCHEMBL1272502 0.82 CTSS (0.65) CTSSCTSBCTSLCTSK
SCHEMBL1272837 0.80 CTSS (0.80) CTSSCTSBCTSLCTSK
SCHEMBL1272917 0.80 CTSS (0.80) CTSSCTSBCTSLCTSK
SCHEMBL1272506 0.77 CTSS (0.59) CTSSCTSBCTSLCTSK
SCHEMBL1271794 0.77 CTSL (0.57) CTSSCTSBCTSLCTSK
SCHEMBL1273437 0.76 CTSL (0.48) CTSSCTSBCTSLCTSK
SCHEMBL1272793 0.76 CTSS (0.61) CTSSCTSBCTSLCTSK
SCHEMBL1271799 0.76 CTSS (0.61) CTSSCTSBCTSLCTSK

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-1866277-A2 SULFONYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS CELERA GENOMICS (US) 2007-12-19 EP claimed
WO-2006102535-A2 SULFONYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS CELERA GENOMICS (US) 2006-09-28 WO claimed