SCHEMBL3469734

SCHEMBL3469734

CC(NC(=O)c1ccc(N)c(C(F)(F)F)c1)C(=O)N1CCCC1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACE P12821 10/20 0.48
PREP P48147 4/20 0.46
FAP Q12884 4/20 0.46
ACE2 Q9BYF1 4/20 0.44
DPP8 Q6V1X1 1/20 0.42
DPP9 Q86TI2 1/20 0.42
CASP1 P29466 2/20 0.41
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
SCHEMBL3470105 0.85 CASP1 (0.53) ACEPREPFAPACE2DPP8
SCHEMBL14209905 0.85 CASP1 (0.54) PREPFAPCASP1CASP4CASP5
SCHEMBL3470045 0.85 CASP1 (0.54) PREPFAPCASP1CASP4CASP5
SCHEMBL13928583 0.85 CASP1 (0.54) PREPFAPCASP1CASP4CASP5
SCHEMBL22811076 0.84 ACE (0.56) ACEPREPFAPACE2DPP8
SCHEMBL3470102 0.82 CASP1 (0.50) ACEPREPFAPACE2CASP1
SCHEMBL22811095 0.81 ACE (0.50) ACEPREPFAPACE2DPP8
SCHEMBL11435575 0.79 ACE (0.71) ACEPREPFAPACE2
SCHEMBL29749309 0.79 ACE (0.71) ACEPREPFAPACE2
SCHEMBL3472327 0.79 ACE (0.71) ACEPREPFAPACE2

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 13 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-2261233-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
EP-2261235-A2 Inhibitors of caspases VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-15 EP disclosed
EP-2261234-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
EP-1064298-A2 INHIBITORS OF CASPASES Vertex Pharmaceuticals Incorporated (US) 2001-01-03 EP disclosed
WO-1999047545-A2 INHIBITORS OF CASPASES VERTEX PHARMACEUTICALS INCORPORATED (US) 1999-09-23 WO 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 ACE 344/4885PREP 203/4885FAP 1721/4885
US-20030232986-A1 Inhibitors of caspases CASP1, APAF1, IRF3 ACE 339/4885PREP 201/4885FAP 2019/4885

“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.