SCHEMBL12450464

SCHEMBL12450464

CC(=O)C[C@@H](C=O)NC(=O)Cn1c(Cc2ccccc2)ccc(NC(=O)CCc2ccccc2)c1=O

nearest known ligand 0.86

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 11/20 0.86
IL1B P01584 4/20 0.86
ELANE P08246 2/20 0.47
CTRC Q99895 1/20 0.42
F2 P00734 1/20 0.41
PRSS1 P07477 1/20 0.41
CTSB P07858 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
POLB P06746 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
SCHEMBL12450638 0.93 CASP1 (1.00) CASP1IL1BELANECTRCF2
SCHEMBL4459947 0.93 CASP1 (1.00) CASP1IL1BELANECTRCF2
SCHEMBL14399361 0.91 CASP1 (0.83) CASP1IL1BELANECTRCF2
SCHEMBL12522163 0.89 CASP1 (0.83) CASP1IL1BELANECTRCF2
SCHEMBL12450461 0.88 CASP1 (0.67) CASP1IL1BELANECTRC
SCHEMBL4458430 0.86 CASP1 (1.00) CASP1IL1BELANECTRCF2
SCHEMBL12450462 0.85 CASP1 (0.63) CASP1IL1BELANEF2PRSS1
SCHEMBL10200776 0.84 CASP1 (0.66) CASP1IL1BELANEF2PRSS1
SCHEMBL4454531 0.84 CASP1 (1.00) CASP1IL1BELANECTRCF2
SCHEMBL12914457 0.82 CASP1 (0.85) CASP1IL1BELANEKDM4EALDH1A1

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-20120238749-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-09-20 US disclosed
US-20110015371-A1 Inhibitors of interleukin-1 beta converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-01-20 US disclosed
US-7772366-B2 Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-10 US disclosed
US-20080070953-A1 Inhibitors of interleukin-1 beta converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-03-20 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-20080070953-A1 Inhibitors of interleukin-1 beta converting enzyme IL1B, IL1A, IL1R1 CASP1 5/4885IL1B 1/4885ELANE 140/4885
US-20110015371-A1 Inhibitors of interleukin-1 beta converting enzyme IL1B, IL1A, IL1R1 CASP1 5/4885IL1B 1/4885ELANE 140/4885
US-20120238749-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME IL1B, IL1A, IL1R1 CASP1 5/4885IL1B 1/4885ELANE 140/4885

“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.