SCHEMBL3470556

SCHEMBL3470556

CC(NC(=O)c1ccc(N)c(Cl)c1)C(=O)N1CC(F)CC1C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 2/20 0.41
CASP4 P49662 1/20 0.37
CASP5 P51878 1/20 0.37
CASP7 P55210 1/20 0.37
CASP9 P55211 1/20 0.37
CASP8 Q14790 1/20 0.37
CASP10 Q92851 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
PEPD P12955 1/20 0.37
XPNPEP1 Q9NQW7 1/20 0.37
PIN1 Q13526 1/20 0.35
PREP P48147 2/20 0.35
FAP Q12884 2/20 0.35
CFD P00746 1/20 0.33
ELANE P08246 1/20 0.33
F10 P00742 1/20 0.33
MMP2 P08253 1/20 0.33
HTRA1 Q92743 1/20 0.33

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
SCHEMBL3471125 0.87 CA1 (0.40) CASP1CASP4CASP5CASP7CASP9
SCHEMBL3471227 0.84 CASP1 (0.55) CASP1CASP4CASP5CASP7CASP9
SCHEMBL13928547 0.83 CA1 (0.39) CASP1CASP4CASP5CASP7CASP9
SCHEMBL14233220 0.79 CASP1 (0.49) CASP1CASP4CASP5CASP7CASP9
SCHEMBL13928550 0.79 CASP1 (0.49) CASP1CASP4CASP5CASP7CASP9
SCHEMBL14209724 0.79 CASP1 (0.49) CASP1CASP4CASP5CASP7CASP9
SCHEMBL13951296 0.79 CASP1 (0.49) CASP1CASP4CASP5CASP7CASP9
SCHEMBL3472053 0.78 CASP1 (0.49) CASP1CASP4CASP5CASP7CASP9
SCHEMBL3478568 0.76 CASP1 (0.46) CASP1CASP4CASP5CASP7CASP9
SCHEMBL14232956 0.76 CASP1 (0.46) CASP1CASP4CASP5CASP7CASP9

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 10 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-2261234-A2 Inhibitors of caspases VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-15 EP 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
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
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 CASP1 1/4885CASP4 15/4885CASP5 4/4885
US-20030232986-A1 Inhibitors of caspases CASP1, APAF1, IRF3 CASP1 1/4885CASP4 11/4885CASP5 4/4885

“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.