SCHEMBL10199273

SCHEMBL10199273

O=C(O)C[C@@H](/C=N/OCc1c(Cl)cccc1Cl)NC(=O)[C@@H]1CCCN2C(=O)CCN(NC(=O)c3ccccc3)C(=O)N12

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 9/20 0.51
IL1B P01584 2/20 0.44
ALDH1A1 P00352 3/20 0.37
HPGD P15428 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ITGB1 P05556 2/20 0.34
ITGA4 P13612 2/20 0.34
CASP4 P49662 1/20 0.32
CASP5 P51878 1/20 0.32
CASP7 P55210 1/20 0.32
CASP9 P55211 1/20 0.32
CASP8 Q14790 1/20 0.32
CASP10 Q92851 1/20 0.32
MAPT P10636 1/20 0.31
P2RX7 Q99572 1/20 0.31
LCK P06239 1/20 0.31
MME P08473 1/20 0.30
ACE P12821 1/20 0.30
TACR1 P25103 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
SCHEMBL10247807 1.00 CASP1 (0.51) CASP1IL1BALDH1A1HPGDL3MBTL1
SCHEMBL10199217 0.88 CASP1 (0.53) CASP1IL1BLCKMMEACE
SCHEMBL10247677 0.88 CASP1 (0.53) CASP1IL1BLCKMMEACE
SCHEMBL10247905 0.87 CASP1 (0.70) CASP1IL1BCASP8LCKMME
SCHEMBL13139537 0.87 CASP1 (0.70) CASP1IL1BCASP8LCKMME
SCHEMBL10199463 0.87 CASP1 (0.70) CASP1IL1BCASP8LCKMME
SCHEMBL10199605 0.84 CASP1 (0.71) CASP1IL1BITGB1ITGA4MME
SCHEMBL10248013 0.81 CASP1 (0.58) CASP1IL1BITGB1ITGA4CASP4
SCHEMBL10199671 0.81 CASP1 (0.58) CASP1IL1BITGB1ITGA4CASP4
SCHEMBL10251691 0.80 CASP1 (0.60) CASP1IL1BITGB1ITGA4CASP4

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 6/4885IL1B 3/4885ALDH1A1 422/4885

“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.