SCHEMBL10248013

SCHEMBL10248013

O=CC(CC(=O)O)NC(=O)C1CCCN2C(=O)CCN(NC(=O)c3c(Cl)cccc3Cl)C(=O)N12

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 12/20 0.58
IL1B P01584 2/20 0.54
ITGB1 P05556 3/20 0.38
ITGA4 P13612 3/20 0.38
GZMB P10144 1/20 0.36
F2 P00734 1/20 0.34
PLG P00747 1/20 0.34
CASP4 P49662 1/20 0.34
CASP5 P51878 1/20 0.34
CASP7 P55210 1/20 0.34
CASP9 P55211 1/20 0.34
CASP8 Q14790 1/20 0.34
CASP10 Q92851 1/20 0.34
MME P08473 1/20 0.33
ACE P12821 1/20 0.33
TACR1 P25103 1/20 0.32
DPP4 P27487 1/20 0.32
PREP P48147 1/20 0.32
FAP Q12884 1/20 0.32

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
SCHEMBL10199671 1.00 CASP1 (0.58) CASP1IL1BITGB1ITGA4GZMB
SCHEMBL10251603 0.91 CASP1 (0.59) CASP1IL1BITGB1ITGA4GZMB
SCHEMBL10199848 0.91 CASP1 (0.59) CASP1IL1BITGB1ITGA4GZMB
SCHEMBL10248195 0.90 CASP1 (0.55) CASP1IL1BITGB1ITGA4GZMB
SCHEMBL10199712 0.90 CASP1 (0.55) CASP1IL1BITGB1ITGA4GZMB
SCHEMBL10199605 0.88 CASP1 (0.71) CASP1IL1BITGB1ITGA4GZMB
SCHEMBL10251691 0.88 CASP1 (0.60) CASP1IL1BITGB1ITGA4CASP4
SCHEMBL10199794 0.88 CASP1 (0.60) CASP1IL1BITGB1ITGA4CASP4
SCHEMBL10199594 0.88 CASP1 (0.61) CASP1IL1BITGB1ITGA4F2
SCHEMBL10247975 0.88 CASP1 (0.61) CASP1IL1BITGB1ITGA4F2

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 3/4885ITGB1 1654/4885

“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.