SCHEMBL346520

SCHEMBL346520

CN(C#N)C(=O)[C@H](CC(C)(F)F)NC(=O)N1CCCC2(CC2)C1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSS P25774 17/20 0.59
CTSK P43235 17/20 0.59
CTSB P07858 16/20 0.59
USP2 O75604 2/20 0.41
CYP3A4 P08684 2/20 0.41
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL347535 0.87 CTSB (0.56) CTSSCTSKCTSBUSP2CYP3A4
SCHEMBL346426 0.87 CTSS (0.66) CTSSCTSKCTSB
SCHEMBL346521 0.83 CTSS (0.64) CTSSCTSKCTSBUSP2CYP3A4
SCHEMBL346557 0.81 CTSS (0.87) CTSSCTSKCTSB
SCHEMBL347232 0.78 CTSS (0.92) CTSSCTSKCTSB
SCHEMBL346610 0.76 CTSB (0.51) CTSSCTSKCTSBUSP2CYP3A4
SCHEMBL347248 0.75 CTSS (0.69) CTSSCTSKCTSB
SCHEMBL346678 0.75 CTSS (0.98) CTSSCTSKCTSB
SCHEMBL346004 0.74 CTSS (1.00) CTSSCTSKCTSB
SCHEMBL347222 0.74 CTSB (0.58) CTSSCTSKCTSBUSP2CYP1A2

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 87/4885CTSB 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.