SCHEMBL12450463

SCHEMBL12450463

CC(=O)CC(C=O)NC(=O)Cn1cccc(NC(=O)CCc2ccccc2)c1=O

nearest known ligand 0.85

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 8/20 0.85
IL1B P01584 4/20 0.61
GZMB P10144 1/20 0.57
ELANE P08246 4/20 0.45
POLB P06746 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
XIAP P98170 1/20 0.44

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
SCHEMBL12914457 1.00 CASP1 (0.85) CASP1IL1BGZMBELANEPOLB
SCHEMBL12914539 0.92 CASP1 (1.00) CASP1IL1BGZMBELANEPOLB
SCHEMBL4454203 0.92 CASP1 (1.00) CASP1IL1BGZMBELANEPOLB
SCHEMBL12450460 0.83 CASP1 (0.88) CASP1IL1BGZMBELANEPOLB
SCHEMBL12450464 0.82 CASP1 (0.86) CASP1IL1BELANEPOLBKDM4E
SCHEMBL949229 0.79 CASP1 (0.69) CASP1IL1BPOLBKDM4EALDH1A1
SCHEMBL12450650 0.79 CASP1 (0.67) CASP1IL1BPOLBKDM4EALDH1A1
SCHEMBL27476686 0.77 CASP1 (0.61) CASP1IL1BPOLBKDM4EALDH1A1
SCHEMBL5344787 0.77 CASP1 (1.00) CASP1IL1BGZMBELANE
SCHEMBL9011667 0.76 ELANE (0.77) CASP1ELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120238749-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-09-20 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 (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-20120238749-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME IL1B, IL1A, IL1R1 CASP1 5/4885IL1B 1/4885GZMB 2387/4885

“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.