SCHEMBL10201769

SCHEMBL10201769

CCC(=O)N1C[C@H](NC(=O)c2ccccc2)C(=O)N(CC(=O)N[C@H]2CC(=O)OC2OCc2ccccc2)c2ccccc21

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 11/20 0.68
CASP8 Q14790 7/20 0.43
XIAP P98170 5/20 0.41
CYP3A4 P08684 4/20 0.41
CASP3 P42574 3/20 0.40
CYSLTR2 Q9NS75 1/20 0.37
CYSLTR1 Q9Y271 1/20 0.37

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
SCHEMBL12444062 1.00 CASP1 (0.68) CASP1CASP8XIAPCYP3A4CASP3
SCHEMBL645989 0.93 CASP1 (0.69) CASP1CASP8XIAPCYP3A4CASP3
SCHEMBL645906 0.92 CASP1 (0.65) CASP1CASP8XIAPCYP3A4CASP3
SCHEMBL13140322 0.92 CASP1 (0.65) CASP1CASP8XIAPCYP3A4CASP3
SCHEMBL10200017 0.91 CASP1 (0.58) CASP1CASP8XIAPCYP3A4CASP3
SCHEMBL10249494 0.91 CASP1 (0.56) CASP1CASP8XIAPCYP3A4CASP3
SCHEMBL10201798 0.91 CASP1 (0.56) CASP1CASP8XIAPCYP3A4CASP3
SCHEMBL645903 0.91 CASP1 (0.65) CASP1CASP8XIAPCYP3A4CASP3
SCHEMBL13140310 0.91 CASP1 (0.65) CASP1CASP8XIAPCYP3A4CASP3
SCHEMBL10249504 0.90 CASP1 (0.56) CASP1CASP8XIAPCYP3A4CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120165319-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-28 US disclosed
US-8119631-B2 Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-21 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-20120165319-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME IL1A, IFNAR1, IL1B CASP1 6/4885CASP8 131/4885XIAP 257/4885

“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.