SCHEMBL346446

SCHEMBL346446

CC(F)(F)C[C@H](NC(=O)N1CCC2(CCCCC2)CC1)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSS P25774 15/20 0.67
CTSK P43235 15/20 0.67
CTSB P07858 14/20 0.67
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
ALDH1A1 P00352 1/20 0.43
USP2 O75604 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 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
SCHEMBL346447 1.00 CTSS (0.67) CTSSCTSKCTSBCYP1A2CYP2C9
SCHEMBL347075 0.93 CTSB (0.65) CTSSCTSKCTSBCYP1A2CYP2C9
SCHEMBL347076 0.93 CTSB (0.65) CTSSCTSKCTSBCYP1A2CYP2C9
SCHEMBL345224 0.82 CTSB (0.64) CTSSCTSKCTSBCYP1A2CYP2C9
SCHEMBL345226 0.82 CTSB (0.64) CTSSCTSKCTSBCYP1A2CYP2C9
SCHEMBL346959 0.81 CTSS (1.00) CTSSCTSKCTSB
SCHEMBL345225 0.81 CTSB (0.55) CTSSCTSKCTSBCYP1A2CYP2C9
SCHEMBL346404 0.80 CTSB (0.67) CTSSCTSKCTSBALDH1A1CYP3A4
SCHEMBL346403 0.80 CTSB (0.67) CTSSCTSKCTSBALDH1A1CYP3A4
SCHEMBL10187865 0.80 GAA (0.54) CTSSCTSKCTSBCYP1A2CYP2C9

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 24/4885CTSK 87/4885CTSB 31/4885
US-20120015933-A1 Spirocyclic nitriles as protease inhibitors CTRL, SERPINB1, PREP CTSS 24/4885CTSK 87/4885CTSB 31/4885
US-20140073662-A1 Spirocyclic nitriles as protease inhibitors CTRL, SERPINB1, PREP CTSS 24/4885CTSK 87/4885CTSB 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.