SCHEMBL10200037

SCHEMBL10200037

Cc1cc(C(=O)N[C@H]2CCC(=O)N3CCC[C@@H](C(=O)N[C@H]4CC(=O)O[C@@H]4OCc4ccccc4)N3C2=O)cc(C)c1O

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 10/20 0.60
CASP3 P42574 2/20 0.60
CASP8 Q14790 2/20 0.60
MME P08473 2/20 0.44
ACE P12821 2/20 0.44
IL1B P01584 2/20 0.44
LCK P06239 8/20 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
SCHEMBL1409839 1.00 CASP1 (0.60) CASP1CASP3CASP8MMEACE
SCHEMBL644798 1.00 CASP1 (0.60) CASP1CASP3CASP8MMEACE
SCHEMBL10200050 1.00 CASP1 (0.60) CASP1CASP3CASP8MMEACE
SCHEMBL10200166 0.96 CASP1 (0.61) CASP1CASP3CASP8MMEACE
SCHEMBL10263508 0.94 CASP1 (0.59) CASP1CASP3CASP8MMEACE
SCHEMBL10200045 0.93 CASP1 (0.59) CASP1CASP3CASP8MMEACE
SCHEMBL10200034 0.93 CASP1 (0.59) CASP1CASP3CASP8MMEACE
SCHEMBL26236631 0.92 CASP1 (0.58) CASP1CASP3CASP8MMEACE
SCHEMBL646016 0.92 CASP1 (0.58) CASP1CASP3CASP8MMEACE
SCHEMBL1409818 0.91 CASP1 (0.64) CASP1CASP3CASP8MMEACE

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 9 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-8119631-B2 Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-21 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-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-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 6/4885CASP3 85/4885CASP8 131/4885
US-20120165319-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME IL1A, IFNAR1, IL1B CASP1 6/4885CASP3 85/4885CASP8 131/4885
US-20080039449-A1 Inhibitors of interleukin-1beta converting enzyme IL1A, IL1B, IFNAR1 CASP1 5/4885CASP3 67/4885CASP8 115/4885

“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.