SCHEMBL10200439

SCHEMBL10200439

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

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 8/20 0.66
IL1B P01584 2/20 0.62
CASP4 P49662 1/20 0.43
CASP5 P51878 1/20 0.43
CASP7 P55210 1/20 0.43
CASP9 P55211 1/20 0.43
CASP8 Q14790 1/20 0.43
CASP10 Q92851 1/20 0.43
LCK P06239 11/20 0.42
MME P08473 1/20 0.40
ACE P12821 1/20 0.40

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
SCHEMBL10199621 0.93 CASP1 (0.76) CASP1IL1BCASP4CASP5CASP7
SCHEMBL10248343 0.90 CASP1 (0.64) CASP1IL1BLCK
SCHEMBL10200447 0.90 CASP1 (0.64) CASP1IL1BLCK
SCHEMBL10200384 0.89 CASP1 (0.67) CASP1IL1BLCKMMEACE
SCHEMBL13139747 0.89 CASP1 (0.66) CASP1IL1BLCK
SCHEMBL10200385 0.88 CASP1 (0.65) CASP1IL1BLCKMMEACE
SCHEMBL10200446 0.88 CASP1 (0.69) CASP1IL1BLCKMMEACE
SCHEMBL10199448 0.86 CASP1 (0.79) CASP1IL1BCASP4CASP5CASP7
SCHEMBL10200454 0.86 CASP1 (0.87) CASP1IL1BLCKMMEACE
SCHEMBL13139764 0.86 CASP1 (0.75) CASP1IL1BLCK

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-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-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 (3 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 3/4885CASP4 126/4885
US-20120165319-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME IL1A, IFNAR1, IL1B CASP1 6/4885IL1B 3/4885CASP4 126/4885
US-20080039449-A1 Inhibitors of interleukin-1beta converting enzyme IL1A, IL1B, IFNAR1 CASP1 5/4885IL1B 2/4885CASP4 88/4885

“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.