SCHEMBL10200770

SCHEMBL10200770

O=C[C@H](CC(=O)O)NC(=O)CN1C(=O)[C@@H](NC(=O)CCc2ccccc2)CCc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACE P12821 11/20 0.53
MME P08473 6/20 0.53
CASP1 P29466 3/20 0.51
BCL2L11 O43521 1/20 0.51
BCL2 P10415 1/20 0.51
MCL1 Q07820 1/20 0.51
XIAP P98170 2/20 0.50
IL1B P01584 1/20 0.50
ABCB11 O95342 1/20 0.49
AGTR2 P50052 1/20 0.49
PDE3A Q14432 1/20 0.49
TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL13139826 1.00 ACE (0.53) ACEMMECASP1BCL2L11BCL2
SCHEMBL10200768 0.85 ACE (0.67) ACEMMEABCB11AGTR2PDE3A
SCHEMBL647991 0.84 CASP1 (0.50) CASP1XIAPIL1B
SCHEMBL10248566 0.84 CASP1 (0.50) CASP1XIAPIL1B
SCHEMBL647990 0.84 CASP1 (0.50) CASP1XIAPIL1B
SCHEMBL647989 0.84 CASP1 (0.50) CASP1XIAPIL1B
SCHEMBL13637751 0.84 CASP1 (0.53) CASP1XIAPIL1B
SCHEMBL13776633 0.82 CASP1 (0.53) ACEMMECASP1
SCHEMBL10200771 0.80 XIAP (0.56) ACEMMEXIAPABCB11AGTR2
SCHEMBL13197094 0.77 CASP1 (0.43) CASP1BCL2L11BCL2MCL1XIAP

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-20120165319-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-28 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 (4 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 ACE 6/4885MME 97/4885CASP1 5/4885
US-20120165319-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME IL1A, IFNAR1, IL1B ACE 16/4885MME 279/4885CASP1 6/4885
US-20110015371-A1 Inhibitors of interleukin-1 beta converting enzyme IL1B, IL1A, IL1R1 ACE 6/4885MME 97/4885CASP1 5/4885
US-20120238749-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME IL1B, IL1A, IL1R1 ACE 6/4885MME 97/4885CASP1 5/4885

“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.