SCHEMBL10248229

SCHEMBL10248229

O=CC(CC(=O)O)NC(=O)C1CCCN2C(=O)CCN(NC(=O)/C=C/c3ccccc3)C(=O)N12

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 11/20 0.58
IL1B P01584 2/20 0.54
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.36
F2 P00734 1/20 0.36
PLG P00747 1/20 0.36
CTSK P43235 2/20 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
FKBP1A P62942 1/20 0.33

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
SCHEMBL10199907 1.00 CASP1 (0.58) CASP1IL1BHPGDCYP2C19F2
SCHEMBL10201627 0.89 CASP1 (0.50) CASP1IL1BITGB1ITGA4
SCHEMBL10201628 0.87 CASP1 (0.48) CASP1IL1BHPGD
SCHEMBL10199605 0.87 CASP1 (0.71) CASP1IL1BF2PLGITGB1
SCHEMBL10248519 0.87 CASP1 (0.63) CASP1IL1BF2PLGITGB1
SCHEMBL13776529 0.85 CASP1 (0.59) CASP1IL1BF2PLGITGB1
SCHEMBL10248120 0.85 CASP1 (0.62) CASP1IL1BF2PLGITGB1
SCHEMBL10201605 0.85 CASP1 (0.64) CASP1IL1BF2PLGITGB1
SCHEMBL10199965 0.85 CASP1 (0.62) CASP1IL1BF2PLGITGB1
SCHEMBL10201600 0.85 CASP1 (0.61) CASP1IL1BF2PLG

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 3/4885HPGD 1148/4885

“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.