SCHEMBL346953

SCHEMBL346953

CC(F)(F)C[C@H](NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSS P25774 5/20 0.58
CTSL P07711 4/20 0.58
CTSB P07858 3/20 0.58
PPARA Q07869 3/20 0.54
PPARG P37231 1/20 0.54
ITGB3 P05106 2/20 0.54
ITGA2B P08514 2/20 0.54
CTSK P43235 5/20 0.53
ALDH1A1 P00352 1/20 0.51
ALOX15 P16050 1/20 0.51
TACR1 P25103 2/20 0.50
KYNU Q16719 1/20 0.50
SYK P43405 1/20 0.50

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
SCHEMBL346954 1.00 CTSS (0.58) CTSSCTSLCTSBPPARAPPARG
SCHEMBL371131 0.91 KYNU (0.58) CTSSCTSLCTSBCTSKALDH1A1
SCHEMBL1069173 0.91 KYNU (0.58) CTSSCTSLCTSBCTSKALDH1A1
SCHEMBL18782778 0.90 CTSS (0.56) CTSSCTSLCTSBPPARAPPARG
SCHEMBL18762596 0.90 CTSS (0.56) CTSSCTSLCTSBPPARAPPARG
SCHEMBL18782779 0.90 CTSS (0.56) CTSSCTSLCTSBPPARAPPARG
SCHEMBL2400096 0.89 CTSS (0.71) CTSSCTSLCTSBPPARAPPARG
SCHEMBL3824323 0.89 CTSS (0.71) CTSSCTSLCTSBPPARAPPARG
SCHEMBL954858 0.89 CTSL (0.54) CTSSCTSLCTSBPPARAPPARG
SCHEMBL954856 0.89 CTSL (0.54) CTSSCTSLCTSBPPARAPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CTSS 24/4885CTSL 9/4885CTSB 31/4885
US-20120015933-A1 Spirocyclic nitriles as protease inhibitors CTRL, SERPINB1, PREP CTSS 24/4885CTSL 9/4885CTSB 31/4885
US-20140073662-A1 Spirocyclic nitriles as protease inhibitors CTRL, SERPINB1, PREP CTSS 24/4885CTSL 9/4885CTSB 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.