SCHEMBL949112

SCHEMBL949112

C[C@H](NC1CC(=O)OC1OCc1ccccc1)C(=O)NC(=O)c1c[nH]c(Cc2ccccc2)n1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 12/20 0.35
CASP3 P42574 11/20 0.35
CASP8 Q14790 9/20 0.35
CASP7 P55210 8/20 0.35
CASP6 P55212 7/20 0.35
RNASEH1 O60930 1/20 0.33
PDE2A O00408 1/20 0.33
XIAP P98170 1/20 0.32
ATM Q13315 1/20 0.32

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
SCHEMBL949088 0.92 CASP1 (0.35) CASP1CASP3CASP8CASP7CASP6
SCHEMBL949111 0.87 CASP3 (0.40) CASP1CASP3CASP8CASP7CASP6
SCHEMBL948261 0.86 CASP3 (0.35) CASP1CASP3CASP8CASP7CASP6
SCHEMBL4455598 0.86 PDE2A (0.34) CASP1CASP3CASP8CASP7CASP6
SCHEMBL952741 0.86 PDE2A (0.37) PDE2A
SCHEMBL950252 0.82 CASP1 (0.35) CASP1CASP3CASP8CASP7CASP6
SCHEMBL948808 0.81 CASP3 (0.38) CASP1CASP3CASP8CASP7CASP6
SCHEMBL950442 0.81 CASP3 (0.36) CASP1CASP3CASP8CASP7CASP6
SCHEMBL949530 0.81 CASP3 (0.38) CASP1CASP3CASP8CASP7CASP6
SCHEMBL949260 0.81 NAAA (0.34) CASP1CASP3CASP8CASP7CASP6

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 CASP1 5/4885CASP3 542/4885CASP8 309/4885

“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.