SCHEMBL10199404

SCHEMBL10199404

O=C(O)C[C@H](NC(=O)[C@@H]1CCCN2C(=O)CCN(NC(=O)c3ccccc3)C(=O)N12)C(=O)c1nc2cc(Cl)cc(Cl)c2o1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 7/20 0.42
ELANE P08246 9/20 0.36
IL1B P01584 2/20 0.36
CTSS P25774 4/20 0.35

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
SCHEMBL10247759 1.00 CASP1 (0.42) CASP1ELANEIL1BCTSS
SCHEMBL648084 0.87 CASP1 (0.59) CASP1IL1B
SCHEMBL645261 0.87 CASP1 (0.59) CASP1IL1B
SCHEMBL10199261 0.87 ITGB1 (0.36) CASP1ELANEIL1BCTSS
SCHEMBL10247761 0.87 ITGB1 (0.36) CASP1ELANEIL1BCTSS
SCHEMBL10251411 0.84 CASP1 (0.43) CASP1ELANEIL1BCTSS
SCHEMBL10199394 0.84 CASP1 (0.43) CASP1ELANEIL1BCTSS
SCHEMBL1409976 0.79 CASP1 (0.51) CASP1IL1B
SCHEMBL13139539 0.79 CASP1 (0.41) CASP1ELANEIL1B
SCHEMBL644683 0.79 CASP1 (0.41) CASP1ELANEIL1B

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 6/4885ELANE 733/4885IL1B 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.