SCHEMBL949260

SCHEMBL949260

C[C@H](NC1CC(=O)OC1OCc1ccccc1)C(=O)NC(=O)c1nc(CCCc2ccccc2)c[nH]1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 4/20 0.34
CASP1 P29466 9/20 0.34
CASP3 P42574 9/20 0.34
CASP7 P55210 7/20 0.34
CASP6 P55212 6/20 0.34
CASP8 Q14790 5/20 0.34
MCL1 Q07820 1/20 0.33
PSMB5 P28074 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
SCHEMBL950252 0.95 CASP1 (0.35) NAAACASP1CASP3CASP7CASP6
SCHEMBL948261 0.93 CASP3 (0.35) CASP1CASP3CASP7CASP6CASP8
SCHEMBL949258 0.88 CASP3 (0.38) NAAACASP1CASP3CASP7CASP6
SCHEMBL949088 0.83 CASP1 (0.35) CASP1CASP3CASP7CASP6CASP8
SCHEMBL950251 0.83 CASP3 (0.39) CASP1CASP3CASP7CASP6CASP8
SCHEMBL949530 0.82 CASP3 (0.38) CASP1CASP3CASP7CASP6CASP8
SCHEMBL949112 0.81 CASP1 (0.35) CASP1CASP3CASP7CASP6CASP8
SCHEMBL948259 0.80 CASP3 (0.40) CASP1CASP3CASP7CASP6CASP8
SCHEMBL948808 0.79 CASP3 (0.38) CASP1CASP3CASP7CASP6CASP8
SCHEMBL4455598 0.78 PDE2A (0.34) CASP1CASP3CASP7CASP6CASP8

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110015371-A1 Inhibitors of interleukin-1 beta converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-01-20 US disclosed
EP-2123665-A2 Inhibitors of interleukin-1Beta converting enzyme Vertex Pharmaceuticals Incorporated (US) 2009-11-25 EP disclosed
EP-1394175-A1 Inhibitors of interleukin-1beta converting enzyme Vertex Pharmaceuticals Incorporated (US) 2004-03-03 EP 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 (1 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-20110015371-A1 Inhibitors of interleukin-1 beta converting enzyme IL1B, IL1A, IL1R1 NAAA 1000/4885CASP1 5/4885CASP3 542/4885

“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.