SCHEMBL10248059

SCHEMBL10248059

O=C(O)CC(NC(=O)C1CCCN2C(=O)CCN(NC(=O)CO)C(=O)N12)C(=O)COC(=O)c1sccc1Cl

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 10/20 0.38
IL1B P01584 2/20 0.36
CASP3 P42574 6/20 0.33
CASP6 P55212 3/20 0.33
CASP8 Q14790 3/20 0.33
CAPN1 P07384 1/20 0.31
ITGB1 P05556 1/20 0.30
ITGA4 P13612 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
SCHEMBL10199688 1.00 CASP1 (0.38) CASP1IL1BCASP3CASP6CASP8
SCHEMBL10263488 0.92 CASP1 (0.40) CASP1IL1BCASP3CASP6CASP8
SCHEMBL10284688 0.92 CASP1 (0.40) CASP1IL1BCASP3CASP6CASP8
SCHEMBL10247795 0.89 CASP3 (0.44) CASP1IL1BCASP3CASP6CASP8
SCHEMBL10199755 0.89 CASP3 (0.44) CASP1IL1BCASP3CASP6CASP8
SCHEMBL10251501 0.86 CASP1 (0.49) CASP1IL1B
SCHEMBL10199693 0.86 CASP1 (0.49) CASP1IL1B
SCHEMBL10199564 0.84 CASP1 (0.40) CASP1IL1BCASP3CASP6CASP8
SCHEMBL10248057 0.84 CASP1 (0.40) CASP1IL1BCASP3CASP6CASP8
SCHEMBL10247778 0.82 CASP3 (0.43) CASP1IL1BCASP3

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-8119631-B2 Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-21 US disclosed
US-20110178069-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-21 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-20110178069-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME IL1A, IFNAR1, IL1B CASP1 6/4885IL1B 3/4885CASP3 85/4885

“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.