SCHEMBL478250

SCHEMBL478250

CC(C)(C)OC(=O)C1CCCN1C(=O)C(NC(=O)c1ccc(N)c(Cl)c1)C(C)(C)C

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 2/20 0.67
CASP4 P49662 1/20 0.61
CASP5 P51878 1/20 0.61
CASP7 P55210 1/20 0.61
CASP9 P55211 1/20 0.61
CASP8 Q14790 1/20 0.61
CASP10 Q92851 1/20 0.61
ELANE P08246 2/20 0.42
TAAR1 Q96RJ0 1/20 0.42
STAT6 P42226 8/20 0.41
STAT5A P42229 2/20 0.40
ROCK2 O75116 1/20 0.40
HSD11B1 P28845 1/20 0.40
ACE P12821 1/20 0.40
STAT5B P51692 1/20 0.39
CCR1 P32246 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LRRK2 Q5S007 1/20 0.38

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
SCHEMBL12023624 1.00 CASP1 (0.67) CASP1CASP4CASP5CASP7CASP9
SCHEMBL30628927 0.93 CASP1 (0.66) CASP1CASP4CASP5CASP7CASP9
SCHEMBL12266522 0.91 CASP1 (0.68) CASP1CASP4CASP5CASP7CASP9
SCHEMBL12266527 0.91 CASP1 (0.68) CASP1CASP4CASP5CASP7CASP9
SCHEMBL3469989 0.90 CASP1 (0.55) CASP1CASP4CASP5CASP7CASP9
SCHEMBL3471227 0.90 CASP1 (0.55) CASP1CASP4CASP5CASP7CASP9
SCHEMBL20298320 0.89 CASP1 (0.68) CASP1CASP4CASP5CASP7CASP9
SCHEMBL3058685 0.89 CASP1 (0.68) CASP1CASP4CASP5CASP7CASP9
SCHEMBL3699919 0.89 CASP1 (0.68) CASP1CASP4CASP5CASP7CASP9
SCHEMBL478382 0.89 CASP1 (0.68) CASP1CASP4CASP5CASP7CASP9

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200048306-A1 PRODRUG OF AN ICE INHIBITOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-02-13 US disclosed
US-9994613-B2 Prodrug of an ICE inhibitor VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-06-12 US disclosed
US-20170022249-A1 PRODRUG OF AN ICE INHIBITOR VERTEX PHARMACEUTICALS INCORPORATED 2017-01-26 US disclosed
US-9487555-B2 Prodrug of an ice inhibitor VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-11-08 US disclosed
US-9156880-B2 Prodrug of an ice inhibitor VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-10-13 US disclosed
US-20150284426-A1 PRODRUG OF AN ICE INHIBITOR VERTEX PHARMACEUTICALS INCORPORATED 2015-10-08 US disclosed
EP-2270005-B1 Prodrug of an ice inhibitor VERTEX PHARMA (US) 2015-07-08 EP disclosed
US-20130331310-A1 Prodrug of an Ice Inhibitor VERTEX PHARMACEUTICALS INCORPORATED 2013-12-12 US disclosed
US-8329662-B2 Prodrug of an ICE inhibitor Vertexd Pharmaceuticals Incorporated (US) 2012-12-11 US disclosed
EP-1396492-B1 Prodrug of an ice inhibitor VERTEX PHARMA (US) 2012-02-01 EP disclosed
EP-1286989-B1 Prodrug of an ICE inhibitor VERTEX PHARMA (US) 2012-02-01 EP disclosed
US-20110301096-A1 PRODRUG OF AN ICE INHIBITOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-12-08 US disclosed
US-8022041-B2 Prodrug of an ICE inhibitor VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-09-20 US disclosed
EP-2270005-A1 Prodrug of an ice inhibitor Vertex Pharmceuticals Incorporated (US) 2011-01-05 EP disclosed
US-20090012149-A1 PRODRUG OF AN ICE INHIBITOR VERTEX PHARMACEUTICALS INCORPORATED 2009-01-08 US disclosed
US-7417029-B2 Prodrug of an ice inhibitor VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-08-26 US disclosed
EP-1396492-A1 Prodrug of an ice inhibitor VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-03-10 EP disclosed
EP-1286989-A2 PRODRUG OF AN ICE INHIBITOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2003-03-05 EP disclosed
US-20020013278-A1 Prodrug of an ice inhibitor VERTEX PHARMACEUTICALS INCORPORATED 2002-01-31 US disclosed
WO-2001090063-A2 PRODRUG OF AN ICE INHIBITOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2001-11-29 WO 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 (7 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-20200048306-A1 PRODRUG OF AN ICE INHIBITOR CASP1, MCL1, IL1B CASP1 1/4885CASP4 260/4885CASP5 185/4885
US-20090012149-A1 PRODRUG OF AN ICE INHIBITOR CASP1, MCL1, IL1B CASP1 1/4885CASP4 260/4885CASP5 185/4885
US-20110301096-A1 PRODRUG OF AN ICE INHIBITOR CASP1, MCL1, IL1B CASP1 1/4885CASP4 260/4885CASP5 185/4885
US-20170022249-A1 PRODRUG OF AN ICE INHIBITOR CASP1, MCL1, IL1B CASP1 1/4885CASP4 260/4885CASP5 185/4885
US-20130331310-A1 Prodrug of an Ice Inhibitor CASP1, MCL1, IL1B CASP1 1/4885CASP4 260/4885CASP5 185/4885
US-20020013278-A1 Prodrug of an ice inhibitor CASP1, MCL1, IL1A CASP1 1/4885CASP4 280/4885CASP5 205/4885
US-20150284426-A1 PRODRUG OF AN ICE INHIBITOR CASP1, MCL1, IL1B CASP1 1/4885CASP4 260/4885CASP5 185/4885

“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.