SCHEMBL347016

SCHEMBL347016

N#CC1(NC(=O)[C@H](CC(F)(F)Cc2ccccc2)NC(=O)N2CCC3(CCCC3)CC2)CC1

nearest known ligand 0.93

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSS P25774 20/20 0.93
CTSK P43235 20/20 0.93
CTSB P07858 19/20 0.93

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
SCHEMBL346361 0.98 CTSB (0.93) CTSSCTSKCTSB
SCHEMBL346505 0.96 CTSB (1.00) CTSSCTSKCTSB
SCHEMBL347417 0.91 CTSB (1.00) CTSSCTSKCTSB
SCHEMBL347857 0.90 CTSB (0.82) CTSSCTSKCTSB
SCHEMBL347182 0.90 CTSB (0.89) CTSSCTSKCTSB
SCHEMBL346405 0.90 CTSB (0.78) CTSSCTSKCTSB
SCHEMBL14405852 0.88 CTSB (0.82) CTSSCTSKCTSB
SCHEMBL347069 0.88 CTSB (0.85) CTSSCTSKCTSB
SCHEMBL347275 0.88 CTSB (0.76) CTSSCTSKCTSB
SCHEMBL346209 0.88 CTSB (0.80) CTSSCTSKCTSB

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
US-8609681-B2 Spirocyclic nitriles as protease inhibitors SANOFI (FR) 2013-12-17 US claimed
EP-2032535-B1 SPIROCYCLIC NITRILES AS PROTEASE INHIBITORS SANOFI SA (FR) 2012-08-01 EP claimed
US-20120015933-A1 Spirocyclic nitriles as protease inhibitors SANOFI-AVENTIS (FR) 2012-01-19 US claimed
US-20090275523-A1 Spirocyclic nitriles as protease inhibitors SANOFI-AVENTIS (FR) 2009-11-05 US claimed
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 87/4885CTSB 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.