SCHEMBL10199659

SCHEMBL10199659

CC(=O)Nc1cccc(C(=O)NN2CCC(=O)N3CCC[C@@H](C(=O)N[C@H](C=O)CC(=O)O)N3C2=O)c1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 9/20 0.57
IL1B P01584 2/20 0.50
GZMB P10144 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CMA1 P23946 2/20 0.35
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
ITGB1 P05556 1/20 0.35
ITGA4 P13612 1/20 0.35
TSHR P16473 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GAA P10253 1/20 0.34
USP2 O75604 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
SCHEMBL10248017 1.00 CASP1 (0.57) CASP1IL1BGZMBKDM4ECMA1
SCHEMBL10199727 0.91 CASP1 (0.58) CASP1IL1BGZMBITGB1ITGA4
SCHEMBL10199854 0.90 CASP1 (0.54) CASP1IL1BGZMBITGB1ITGA4
SCHEMBL10248132 0.90 CASP1 (0.54) CASP1IL1BGZMBITGB1ITGA4
SCHEMBL10199605 0.89 CASP1 (0.71) CASP1IL1BGZMBITGB1ITGA4
SCHEMBL10199886 0.88 CASP1 (0.58) CASP1IL1BTSHR
SCHEMBL10247827 0.88 CASP1 (0.58) CASP1IL1BTSHR
SCHEMBL10199903 0.88 CASP1 (0.60) CASP1IL1BGZMBITGB1ITGA4
SCHEMBL10251691 0.88 CASP1 (0.60) CASP1IL1BITGB1ITGA4
SCHEMBL10248187 0.88 CASP1 (0.60) CASP1IL1BGZMBITGB1ITGA4

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 3/4885GZMB 780/4885
US-20080039449-A1 Inhibitors of interleukin-1beta converting enzyme IL1A, IL1B, IFNAR1 CASP1 5/4885IL1B 2/4885GZMB 843/4885

“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.