SCHEMBL12450461

SCHEMBL12450461

CC(=O)C[C@@H](C=O)NC(=O)Cn1c(Cc2ccccc2)ccc(NC(=O)OCCc2ccccc2)c1=O

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 11/20 0.67
IL1B P01584 4/20 0.67
ELANE P08246 5/20 0.54
CTRC Q99895 3/20 0.49
CTSK P43235 1/20 0.43

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
SCHEMBL4454200 0.93 CASP1 (0.77) CASP1IL1BELANECTRCCTSK
SCHEMBL12450464 0.88 CASP1 (0.86) CASP1IL1BELANECTRC
SCHEMBL12450462 0.82 CASP1 (0.63) CASP1IL1BELANE
SCHEMBL950559 0.81 ELANE (0.53) CASP1IL1BELANECTRC
SCHEMBL4459947 0.81 CASP1 (1.00) CASP1IL1BELANECTRC
SCHEMBL12450638 0.81 CASP1 (1.00) CASP1IL1BELANECTRC
SCHEMBL8645287 0.80 ELANE (0.52) CASP1IL1BELANECTRC
SCHEMBL14399361 0.79 CASP1 (0.83) CASP1IL1BELANECTRC
SCHEMBL4451860 0.77 CASP1 (0.79) CASP1IL1BELANECTRC
SCHEMBL12522163 0.77 CASP1 (0.83) CASP1IL1BELANECTRC

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-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
US-7288624-B2 Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-30 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.