SCHEMBL10247963

SCHEMBL10247963

O=CC(CC(=O)O)NC(=O)C1CCCN2C(=O)CCN(NC(=O)c3ccc(-c4ccccc4)cc3)C(=O)N12

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 12/20 0.64
IL1B P01584 2/20 0.57
F2 P00734 1/20 0.37
PLG P00747 1/20 0.37
CASP3 P42574 1/20 0.37
DPP4 P27487 1/20 0.35
ITGB1 P05556 1/20 0.34
ITGA4 P13612 1/20 0.34
MME P08473 1/20 0.34
ACE P12821 1/20 0.34

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
SCHEMBL10199850 1.00 CASP1 (0.64) CASP1IL1BF2PLGCASP3
SCHEMBL10199605 0.95 CASP1 (0.71) CASP1IL1BF2PLGITGB1
SCHEMBL10248171 0.93 CASP1 (0.62) CASP1IL1BF2PLGCASP3
SCHEMBL10199719 0.93 CASP1 (0.62) CASP1IL1BF2PLGCASP3
SCHEMBL10199879 0.92 CASP1 (0.63) CASP1IL1BF2PLGITGB1
SCHEMBL10248162 0.92 CASP1 (0.63) CASP1IL1BF2PLGITGB1
SCHEMBL10199769 0.91 CASP1 (0.64) CASP1IL1BF2PLGITGB1
SCHEMBL10251727 0.91 CASP1 (0.64) CASP1IL1BF2PLGITGB1
SCHEMBL10199594 0.91 CASP1 (0.61) CASP1IL1BF2PLGITGB1
SCHEMBL10199701 0.91 CASP1 (0.61) CASP1IL1BF2PLGDPP4

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 4 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-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
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 3/4885F2 1160/4885

“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.