SCHEMBL10199394

SCHEMBL10199394

O=C(O)C[C@H](NC(=O)[C@@H]1CCCN2C(=O)CCN(NC(=O)c3ccccc3)C(=O)N12)C(=O)c1ncc(-c2c(Cl)cccc2Cl)o1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 8/20 0.43
CASP3 P42574 4/20 0.42
IL1B P01584 2/20 0.37
ELANE P08246 2/20 0.33
ITGB1 P05556 2/20 0.31
ITGA4 P13612 2/20 0.31
CASP7 P55210 1/20 0.31
CASP8 Q14790 1/20 0.31
ITGB7 P26010 1/20 0.31
CTSS P25774 3/20 0.31
GZMB P10144 1/20 0.30

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
SCHEMBL10251411 1.00 CASP1 (0.43) CASP1CASP3IL1BELANEITGB1
SCHEMBL10247759 0.84 CASP1 (0.42) CASP1IL1BELANECTSS
SCHEMBL10199404 0.84 CASP1 (0.42) CASP1IL1BELANECTSS
SCHEMBL13637689 0.84 CASP1 (0.42) CASP1CASP3IL1BCASP8GZMB
SCHEMBL647407 0.80 CASP1 (0.44) CASP1CASP3IL1BCASP8
SCHEMBL645919 0.80 CASP1 (0.44) CASP1CASP3IL1BCASP8
SCHEMBL10199551 0.80 CASP1 (0.46) CASP1CASP3IL1BCASP8
SCHEMBL10248117 0.80 CASP1 (0.46) CASP1CASP3IL1BCASP8
SCHEMBL10200732 0.80 CASP1 (0.47) CASP1CASP3IL1BCASP8
SCHEMBL10199406 0.79 CASP1 (0.46) CASP1CASP3IL1B

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-20120165319-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-28 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 6/4885CASP3 85/4885IL1B 3/4885

“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.