SCHEMBL347259

SCHEMBL347259

CC(F)(F)CC(NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSS P25774 7/20 0.48
CTSK P43235 6/20 0.48
PPARA Q07869 7/20 0.46
PPARG P37231 6/20 0.46
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
ACE P12821 1/20 0.45
PPARD Q03181 2/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
IDO1 P14902 1/20 0.42
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42

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
SCHEMBL347258 1.00 CTSS (0.48) CTSSCTSKPPARAPPARGCTSL
SCHEMBL355405 0.90 CTSS (0.48) CTSSCTSKPPARAPPARGCTSL
SCHEMBL1515640 0.90 CTSS (0.48) CTSSCTSKPPARAPPARGCTSL
SCHEMBL15240366 0.90 PPARA (0.49) CTSSCTSKPPARAPPARGCTSL
SCHEMBL18614278 0.90 CTSS (0.48) CTSSCTSKPPARAPPARGCTSL
SCHEMBL1146321 0.90 PPARA (0.49) CTSSCTSKPPARAPPARGCTSL
SCHEMBL23991234 0.87 CTSS (0.46) CTSSCTSKPPARAPPARGCTSL
SCHEMBL66303 0.86 CTSK (0.51) CTSSCTSKPPARAPPARGCTSL
SCHEMBL1360500 0.86 CTSK (0.51) CTSSCTSKPPARAPPARGCTSL
SCHEMBL66302 0.86 CTSK (0.51) CTSSCTSKPPARAPPARGCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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 CTSS 24/4885CTSK 87/4885PPARA 1903/4885
US-20120015933-A1 Spirocyclic nitriles as protease inhibitors CTRL, SERPINB1, PREP CTSS 24/4885CTSK 87/4885PPARA 1903/4885
US-20140073662-A1 Spirocyclic nitriles as protease inhibitors CTRL, SERPINB1, PREP CTSS 24/4885CTSK 87/4885PPARA 1903/4885

“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.