SCHEMBL347230

SCHEMBL347230

CC(F)(F)C[C@H](N)C(=O)NC1(C#N)CC1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 16/20 0.55
CTSS P25774 13/20 0.55
CTSB P07858 12/20 0.55
CTSC P53634 2/20 0.48
CTSL P07711 3/20 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
SCHEMBL347231 1.00 CTSK (0.55) CTSKCTSSCTSBCTSCCTSL
SCHEMBL5407806 0.91 CTSK (0.50) CTSKCTSSCTSBCTSCCTSL
Hydrochloric Acid SCHEMBL28421511 0.90 CTSK (0.49) CTSKCTSSCTSBCTSCCTSL
Hydrochloric Acid SCHEMBL28421509 0.90 CTSK (0.49) CTSKCTSSCTSBCTSCCTSL
SCHEMBL11889813 0.90 CTSS (0.62) CTSKCTSSCTSBCTSCCTSL
SCHEMBL8296697 0.88 CTSC (0.50) CTSKCTSSCTSBCTSCCTSL
SCHEMBL11889693 0.86 CTSK (0.47) CTSKCTSSCTSBCTSCCTSL
SCHEMBL3881249 0.83 CTSK (0.58) CTSKCTSSCTSBCTSCCTSL
SCHEMBL18910071 0.80 CTSC (0.53) CTSKCTSSCTSBCTSCCTSL
SCHEMBL347349 0.79 CTSS (0.67) 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 11 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-2520568-B1 Spirocyclic nitriles as inhibitors of protease SANOFI SA (FR) 2015-09-09 EP disclosed
US-20140073662-A1 Spirocyclic nitriles as protease inhibitors SANOFI (FR) 2014-03-13 US disclosed
US-8609681-B2 Spirocyclic nitriles as protease inhibitors SANOFI (FR) 2013-12-17 US disclosed
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
US-20120015933-A1 Spirocyclic nitriles as protease inhibitors SANOFI-AVENTIS (FR) 2012-01-19 US disclosed
US-8039480-B2 Spirocyclic nitriles as protease inhibitors SANOFI-AVENTIS (FR) 2011-10-18 US disclosed
US-20090275523-A1 Spirocyclic nitriles as protease inhibitors SANOFI-AVENTIS (FR) 2009-11-05 US disclosed
EP-2032535-A1 SPIROCYCLIC NITRILES AS PROTEASE INHIBITORS Sanofi-Aventis (FR) 2009-03-11 EP disclosed
WO-2007137738-A1 SPIROCYCLIC NITRILES AS PROTEASE INHIBITORS SANOFI-AVENTIS (DE) 2007-12-06 WO 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 (3 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-20090275523-A1 Spirocyclic nitriles as protease inhibitors CTRL, SERPINB1, PREP CTSK 87/4885CTSS 24/4885CTSB 31/4885
US-20120015933-A1 Spirocyclic nitriles as protease inhibitors CTRL, SERPINB1, PREP CTSK 87/4885CTSS 24/4885CTSB 31/4885
US-20140073662-A1 Spirocyclic nitriles as protease inhibitors CTRL, SERPINB1, PREP CTSK 87/4885CTSS 24/4885CTSB 31/4885

“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.