SCHEMBL3470565

SCHEMBL3470565

CC(NC(=O)c1ccc(NC(=O)C(C)(C)C)c(Cl)c1)C(=O)N1CCCC1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PREP P48147 5/20 0.47
FAP Q12884 5/20 0.47
ACE P12821 8/20 0.46
DPP8 Q6V1X1 1/20 0.43
DPP9 Q86TI2 1/20 0.43
TAAR1 Q96RJ0 1/20 0.42
ACE2 Q9BYF1 4/20 0.42
CASP1 P29466 2/20 0.42
CASP4 P49662 1/20 0.41
CASP5 P51878 1/20 0.41
CASP7 P55210 1/20 0.41
CASP9 P55211 1/20 0.41
CASP8 Q14790 1/20 0.41
CASP10 Q92851 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
SCHEMBL3469722 0.90 ACE (0.48) PREPFAPACEDPP8DPP9
SCHEMBL3471481 0.87 ACE (0.45) PREPFAPACETAAR1ACE2
SCHEMBL3472058 0.85 CASP1 (0.53) PREPFAPTAAR1CASP1CASP4
SCHEMBL13928606 0.85 CASP1 (0.53) PREPFAPTAAR1CASP1CASP4
SCHEMBL13951028 0.85 CASP1 (0.53) PREPFAPTAAR1CASP1CASP4
SCHEMBL13020845 0.84 CASP1 (0.47) PREPFAPDPP8DPP9TAAR1
SCHEMBL13020940 0.83 PREP (0.48) PREPFAPACEDPP8DPP9
SCHEMBL3470105 0.82 CASP1 (0.53) PREPFAPACEDPP8DPP9
SCHEMBL3470380 0.81 PREP (0.43) PREPFAPACEDPP8DPP9
SCHEMBL3471221 0.81 ACE (0.48) PREPFAPACEDPP8DPP9

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-8691848-B2 Inhibitors of caspases VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-04-08 US disclosed
EP-2261235-A2 Inhibitors of caspases VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-15 EP disclosed
EP-2261232-A2 Inhibitors of caspases VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-15 EP disclosed
US-20090048226-A1 Inhibitors of caspases VERTEX PHARMACEUTICALS INCORPORATED 2009-02-19 US disclosed
EP-2011800-A2 Inhibitors of caspase Vertex Pharmaceuticals Incorporated (US) 2009-01-07 EP disclosed
EP-1064298-B1 INHIBITORS OF CASPASES VERTEX PHARMA (US) 2008-10-08 EP disclosed
US-7358273-B2 Inhibitors of caspases VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-04-15 US disclosed
US-20030232986-A1 Inhibitors of caspases VERTEX PHARMACEUTICALS INCORPORATED 2003-12-18 US disclosed
US-6531474-B1 Treating inflammatory disease, osteoarthritis, glomerulonephritis, rheumatoid arthritis, psoriasis, graft vs. host disease, sepsis, or septic shock VERTEX PHARMACEUTICALS INCORPORATED 2003-03-11 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 (2 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-20090048226-A1 Inhibitors of caspases CASP1, APAF1, IRF3 PREP 203/4885FAP 1721/4885ACE 344/4885
US-20030232986-A1 Inhibitors of caspases CASP1, APAF1, IRF3 PREP 201/4885FAP 2019/4885ACE 339/4885

“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.