SCHEMBL1409934

SCHEMBL1409934

CC(C)(C)OC(=O)[C@@H]1CCCN2C(=O)CC[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)N12

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 8/20 0.48
MME P08473 2/20 0.45
ACE P12821 2/20 0.45
CASP3 P42574 2/20 0.41
CASP8 Q14790 2/20 0.41
LCK P06239 9/20 0.41
TDP1 Q9NUW8 1/20 0.39
IL1B P01584 2/20 0.39

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
SCHEMBL2218682 1.00 CASP1 (0.48) CASP1MMEACECASP3CASP8
SCHEMBL12994873 0.89 CASP1 (0.51) CASP1MMEACECASP3CASP8
SCHEMBL645962 0.88 ACE (0.57) CASP1MMEACELCKTDP1
SCHEMBL645612 0.88 ACE (0.57) CASP1MMEACELCKTDP1
SCHEMBL13139910 0.88 ACE (0.57) CASP1MMEACELCKTDP1
SCHEMBL1409780 0.85 CASP1 (0.64) CASP1MMEACECASP3CASP8
SCHEMBL3069962 0.85 CASP1 (0.64) CASP1MMEACECASP3CASP8
SCHEMBL12098331 0.81 MME (0.44) CASP1MMEACECASP3CASP8
SCHEMBL12098327 0.81 MME (0.44) CASP1MMEACECASP3CASP8
SCHEMBL2219237 0.80 CASP1 (0.59) CASP1MMEACECASP3CASP8

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
EP-2295442-A2 Inhibitors of interleukin-1beta converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-16 EP disclosed
US-7790713-B2 Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-09-07 US disclosed
EP-2083014-A2 Inhibitors of interleukin-1ß converting enzyme Vertex Pharmceuticals Incorporated (US) 2009-07-29 EP disclosed
US-20080039449-A1 Inhibitors of interleukin-1beta converting enzyme BATCHELOR MARK J 2008-02-14 US disclosed
US-20030225269-A1 Inhibitors of interleukin-1beta converting enzyme VERTEX PHARMACEUTICALS INCORPORATED 2003-12-04 US disclosed
US-6423840-B1 FORMING N-ACYLAMINO COMPOUND VERTEX PHARMACEUTICALS INCORPORATED 2002-07-23 US disclosed
US-6258948-B1 AN N-ACYLAMINO COMPOUND; ANTIINFLAMMATORY AGENTS, AUTOIMMUNE DISEASES VERTEX PHARMACEUTICALS, INCORPORATED 2001-07-10 US disclosed
US-6204261-B1 Inhibitors of interleukin-1β Converting enzyme inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2001-03-20 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 (2 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-20080039449-A1 Inhibitors of interleukin-1beta converting enzyme IL1A, IL1B, IFNAR1 CASP1 5/4885MME 327/4885ACE 19/4885
US-20030225269-A1 Inhibitors of interleukin-1beta converting enzyme IL1A, APAF1, IL1B CASP1 6/4885MME 271/4885ACE 20/4885

“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.