SCHEMBL644947

SCHEMBL644947

C=CCOC(=O)N[C@@H]1CC(=O)OC1OCC

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.39
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 7/20 0.37
NPSR1 Q6W5P4 5/20 0.37
L3MBTL1 Q9Y468 3/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
RECQL P46063 2/20 0.34
STAT1 P42224 1/20 0.34
TSHR P16473 1/20 0.33
CASP1 P29466 1/20 0.32
CASP3 P42574 1/20 0.32
CASP8 Q14790 1/20 0.32
GRM2 Q14416 1/20 0.32
GRM3 Q14832 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL26623490 1.00 KMT2A (0.39) KMT2AALDH1A1MEN1NPSR1L3MBTL1
SCHEMBL3469761 1.00 KMT2A (0.39) KMT2AALDH1A1MEN1NPSR1L3MBTL1
SCHEMBL1490171 1.00 KMT2A (0.39) KMT2AALDH1A1MEN1NPSR1L3MBTL1
SCHEMBL3470477 0.89 TSHR (0.36) KMT2AALDH1A1TSHRGRM2GRM3
SCHEMBL3470242 0.86 CASP3 (0.32) TSHRCASP1CASP3CASP8
SCHEMBL3470055 0.86 KCNA3 (0.34) KMT2AALDH1A1MEN1CASP1CASP3
SCHEMBL10263107 0.86 KCNA3 (0.34) KMT2AALDH1A1MEN1CASP1CASP3
SCHEMBL646854 0.86 KCNA3 (0.34) KMT2AALDH1A1MEN1CASP1CASP3
SCHEMBL3472119 0.85 MEN1 (0.32) KMT2AMEN1
SCHEMBL3470257 0.83 CASP1 (0.35) KMT2AALDH1A1MEN1NPSR1CASP1

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 12 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-20110178069-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-21 US disclosed
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-20050143436-A1 Inhibitors of interleukin-1beta converting enzyme VERTEX PHARMACEUTICALS INCORPORATED 2005-06-30 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 (5 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 KMT2A 4308/4885ALDH1A1 422/4885MEN1 2742/4885
US-20120165319-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME IL1A, IFNAR1, IL1B KMT2A 4308/4885ALDH1A1 422/4885MEN1 2742/4885
US-20080039449-A1 Inhibitors of interleukin-1beta converting enzyme IL1A, IL1B, IFNAR1 KMT2A 4353/4885ALDH1A1 440/4885MEN1 2273/4885
US-20050143436-A1 Inhibitors of interleukin-1beta converting enzyme IL1A, IL1B, IFNAR1 KMT2A 4309/4885ALDH1A1 458/4885MEN1 2289/4885
US-20030225269-A1 Inhibitors of interleukin-1beta converting enzyme IL1A, APAF1, IL1B KMT2A 4312/4885ALDH1A1 517/4885MEN1 2516/4885

“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.