SCHEMBL346404

SCHEMBL346404

O=C(O)C(CC(F)(F)Cc1ccccc1)NC(=O)N1CCC2(CCCC2)CC1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSB P07858 8/20 0.67
CTSS P25774 8/20 0.67
CTSK P43235 8/20 0.67
POLB P06746 3/20 0.46
CYP3A4 P08684 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CCKBR P32239 6/20 0.43
ALDH1A1 P00352 1/20 0.43
HSD11B1 P28845 1/20 0.41

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
SCHEMBL346403 1.00 CTSB (0.67) CTSBCTSSCTSKPOLBCYP3A4
SCHEMBL346132 0.96 CTSB (0.72) CTSBCTSSCTSKPOLBCYP3A4
SCHEMBL346133 0.96 CTSB (0.72) CTSBCTSSCTSKPOLBCYP3A4
SCHEMBL346509 0.91 CTSB (0.64) CTSBCTSSCTSKPOLBCYP3A4
SCHEMBL346507 0.91 CTSB (0.64) CTSBCTSSCTSKPOLBCYP3A4
SCHEMBL346100 0.86 CTSB (0.68) CTSBCTSSCTSKPOLBCYP3A4
SCHEMBL346098 0.86 CTSB (0.68) CTSBCTSSCTSKPOLBCYP3A4
SCHEMBL347016 0.85 CTSS (0.93) CTSBCTSSCTSK
SCHEMBL8224236 0.83 CTSS (0.76) CTSBCTSSCTSKPOLBCYP3A4
SCHEMBL3871541 0.83 CTSS (0.54) CTSBCTSSCTSKPOLB

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