SCHEMBL3881247

SCHEMBL3881247

N#CC1(NC(=O)[CH]CC(F)(F)CCC(N)=O)CC1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 10/20 0.34
CTSS P25774 8/20 0.34
CTSB P07858 7/20 0.34
CTSL P07711 6/20 0.32
CTSC P53634 2/20 0.32

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
SCHEMBL4245817 0.90 CTSS (0.40) CTSKCTSSCTSBCTSL
SCHEMBL4243855 0.86 CTSK (0.33) CTSKCTSSCTSBCTSLCTSC
SCHEMBL4063005 0.81 CTSC (0.34) CTSKCTSSCTSBCTSLCTSC
SCHEMBL4242428 0.81 CTSK (0.32) CTSKCTSSCTSBCTSLCTSC
SCHEMBL4244011 0.79 CTSK (0.40) CTSKCTSSCTSBCTSL
SCHEMBL11889808 0.76 CTSC (0.33) CTSKCTSSCTSBCTSLCTSC
SCHEMBL4239823 0.73 CTSS (0.51) CTSKCTSSCTSBCTSL
SCHEMBL4066120 0.73 CTSL (0.37) CTSKCTSSCTSBCTSLCTSC
SCHEMBL4246964 0.71 CTSL (0.37) CTSKCTSSCTSBCTSLCTSC
SCHEMBL4245581 0.71 CTSL (0.39) CTSKCTSSCTSBCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2032535-B1 SPIROCYCLIC NITRILES AS PROTEASE INHIBITORS SANOFI SA (FR) 2012-08-01 EP claimed
EP-2032535-A1 SPIROCYCLIC NITRILES AS PROTEASE INHIBITORS Sanofi-Aventis (FR) 2009-03-11 EP claimed
WO-2007137738-A1 SPIROCYCLIC NITRILES AS PROTEASE INHIBITORS SANOFI-AVENTIS (DE) 2007-12-06 WO claimed
EP-2520568-A1 Spirocyclic nitriles as inhibitors of protease SANOFI (FR) 2012-11-07 EP disclosed
EP-2032535-B1 SPIROCYCLIC NITRILES AS PROTEASE INHIBITORS SANOFI SA (FR) 2012-08-01 EP disclosed
EP-2032535-A1 SPIROCYCLIC NITRILES AS PROTEASE INHIBITORS Sanofi-Aventis (FR) 2009-03-11 EP disclosed
US-7482448-B2 Compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2009-01-27 US disclosed
WO-2007137738-A1 SPIROCYCLIC NITRILES AS PROTEASE INHIBITORS SANOFI-AVENTIS (DE) 2007-12-06 WO disclosed
US-20060189657-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2006-08-24 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060189657-A1 Novel compounds and compositions as cathepsin inhibitors CTSB, CTSS, CTSK CTSK 3/4885CTSS 2/4885CTSB 1/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.