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SCHEMBL10199893

SCHEMBL10199893

O=C[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN2C(=O)CCN(NC(=O)c3ccc(F)c(F)c3)C(=O)N12

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CASP1 P29466 12/20 0.57
▸ IL1B P01584 2/20 0.57
▸ ITGB1 P05556 2/20 0.37
▸ ITGA4 P13612 2/20 0.37
▸ CASP4 P49662 1/20 0.35
▸ CASP5 P51878 1/20 0.35
▸ CASP7 P55210 1/20 0.35
▸ CASP9 P55211 1/20 0.35
▸ CASP8 Q14790 1/20 0.35
▸ CASP10 Q92851 1/20 0.35
▸ CASP3 P42574 2/20 0.33
▸ DPP4 P27487 2/20 0.32
▸ KCNH2 Q12809 2/20 0.32
▸ F2 P00734 1/20 0.32
▸ PLG P00747 1/20 0.32
▸ DPP7 Q9UHL4 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
SCHEMBL10247847 1.00 CASP1 (0.57) CASP1IL1BITGB1ITGA4CASP4
SCHEMBL10248175 0.94 CASP1 (0.55) CASP1IL1BITGB1ITGA4CASP4
SCHEMBL10199906 0.94 CASP1 (0.55) CASP1IL1BITGB1ITGA4CASP4
SCHEMBL10199701 0.92 CASP1 (0.61) CASP1IL1BITGB1ITGA4CASP4
SCHEMBL10248066 0.92 CASP1 (0.61) CASP1IL1BITGB1ITGA4CASP4
SCHEMBL10199963 0.92 CASP1 (0.53) CASP1IL1BITGB1ITGA4CASP4
SCHEMBL10248224 0.92 CASP1 (0.53) CASP1IL1BITGB1ITGA4CASP4
SCHEMBL10248187 0.91 CASP1 (0.60) CASP1IL1BITGB1ITGA4F2
SCHEMBL10199903 0.91 CASP1 (0.60) CASP1IL1BITGB1ITGA4F2
SCHEMBL10199594 0.90 CASP1 (0.61) 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 5 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
US-7790713-B2 Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-09-07 — — US disclosed
US-7790713-B2 Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-09-07 — — US disclosed
US-20080039449-A1 Inhibitors of interleukin-1beta converting enzyme BATCHELOR MARK J 2008-02-14 — — 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 (2 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 3/4885ITGB1 1654/4885
US-20080039449-A1 Inhibitors of interleukin-1beta converting enzyme IL1A, IL1B, IFNAR1 CASP1 5/4885IL1B 2/4885ITGB1 2331/4885

“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.