SCHEMBL346988

SCHEMBL346988

CN(C#N)C(=O)[C@H](CC(F)(F)Cc1ccccc1OC(F)F)NC(=O)N1CCC2(CC1)CC2

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSS P25774 18/20 0.51
CTSB P07858 17/20 0.51
CTSK P43235 17/20 0.51
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.35
CYP3A4 P08684 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL346987 0.86 CTSS (0.57) CTSSCTSBCTSK
SCHEMBL10238948 0.85 CTSB (0.50) CTSSCTSBCTSKCYP2D6TSHR
SCHEMBL347248 0.85 CTSS (0.69) CTSSCTSBCTSK
SCHEMBL12237551 0.83 CTSS (0.53) CTSSCTSBCTSKCYP3A4SMN1; SMN2
SCHEMBL346426 0.79 CTSS (0.66) CTSSCTSBCTSK
SCHEMBL347111 0.79 CTSB (0.56) CTSSCTSBCTSKCYP3A4
SCHEMBL15507145 0.76 CTSS (0.57) CTSSCTSBCTSK
SCHEMBL346934 0.76 CTSB (0.74) CTSSCTSBCTSK
SCHEMBL347535 0.76 CTSB (0.56) CTSSCTSBCTSKCYP2D6TSHR
SCHEMBL345973 0.76 CTSB (0.53) CTSSCTSBCTSK

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

“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.