SCHEMBL647366

SCHEMBL647366

O=C(CCc1ccccc1)N[C@H]1CCCN2CCC[C@@H](C(=O)N[C@H]3CC(=O)OC3OCc3ccccc3)N2C1=O

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 6/20 0.49
CASP3 P42574 5/20 0.49
CASP8 Q14790 4/20 0.49
ACE P12821 3/20 0.45
MME P08473 2/20 0.45
KLK7 P49862 1/20 0.42

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
SCHEMBL1409861 1.00 CASP1 (0.49) CASP1CASP3CASP8ACEMME
SCHEMBL4356685 1.00 CASP1 (0.49) CASP1CASP3CASP8ACEMME
SCHEMBL644997 0.90 CASP1 (0.60) CASP1CASP3CASP8ACEMME
SCHEMBL1414605 0.90 CASP1 (0.60) CASP1CASP3CASP8ACEMME
SCHEMBL1409707 0.90 CASP1 (0.60) CASP1CASP3CASP8ACEMME
SCHEMBL644933 0.89 CASP1 (0.52) CASP1CASP3CASP8ACEMME
SCHEMBL644714 0.89 CASP1 (0.52) CASP1CASP3CASP8ACEMME
SCHEMBL1414638 0.89 CASP1 (0.52) CASP1CASP3CASP8ACEMME
SCHEMBL1410174 0.89 CASP1 (0.52) CASP1CASP3CASP8ACEMME
SCHEMBL12450751 0.89 CASP1 (0.52) CASP1CASP3CASP8ACEMME

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 8 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-7790713-B2 Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-09-07 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-20080039449-A1 Inhibitors of interleukin-1beta converting enzyme BATCHELOR MARK J 2008-02-14 US disclosed
US-20050143436-A1 Inhibitors of interleukin-1beta converting enzyme VERTEX PHARMACEUTICALS INCORPORATED 2005-06-30 US disclosed
US-6008217-A AN ENZYME INHIBITOR AGAINST INTERLEUKIN-1B, FOR TREATING APOPTOSIS-MEDIATED DISEASES, INCLUDING INFLAMMATORY DISEASES, AUTOIMMUNE DISEASES, PROLIFERATIVE DISORDERS, INFECTIOUS DISEASES, AND DEGENERATIVE DISEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 1999-12-28 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 CASP1 5/4885CASP3 542/4885CASP8 309/4885
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
US-20050143436-A1 Inhibitors of interleukin-1beta converting enzyme IL1A, IL1B, IFNAR1 CASP1 5/4885CASP3 73/4885CASP8 123/4885

“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.