SCHEMBL3022767

SCHEMBL3022767

COC(=O)/C=C/C(C)(C)C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 4/20 0.60
HCAR2 Q8TDS4 2/20 0.60
KEAP1 Q14145 1/20 0.60
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
TYR P14679 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
ALDH1A1 P00352 5/20 0.36
ALOX15 P16050 2/20 0.36
HSD17B10 Q99714 2/20 0.36
RECQL P46063 1/20 0.36
MAPT P10636 3/20 0.35
KDM4E B2RXH2 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
TTR P02766 1/20 0.34
APP P05067 1/20 0.34
MEN1 O00255 2/20 0.33

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
SCHEMBL1881404 1.00 NFE2L2 (0.60) NFE2L2HCAR2KEAP1CA12CA1
SCHEMBL17268283 0.83 NFE2L2 (0.52) NFE2L2HCAR2KEAP1CA12CA1
SCHEMBL13422419 0.83 NFE2L2 (0.52) NFE2L2HCAR2KEAP1CA12CA1
SCHEMBL24425888 0.78 NFE2L2 (0.52) NFE2L2HCAR2KEAP1CA12CA1
SCHEMBL18929987 0.78 NFE2L2 (0.52) NFE2L2HCAR2KEAP1CA12CA1
SCHEMBL18960907 0.77 KEAP1 (0.32) NFE2L2HCAR2KEAP1
SCHEMBL321328 0.77 NFE2L2 (0.57) NFE2L2HCAR2KEAP1CA12CA1
SCHEMBL1880638 0.77 DGAT1 (0.34) NFE2L2HCAR2KEAP1DGAT1
SCHEMBL2418087 0.77 NFE2L2 (0.57) NFE2L2HCAR2KEAP1CA12CA1
SCHEMBL14457285 0.77 KEAP1 (0.32) NFE2L2HCAR2KEAP1

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180000768-A1 INTESTINAL FXR AGONISM ENHANCES GLP-1 SIGNALING TO RESTORE PANCREATIC BETA CELL FUNCTIONS SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2018-01-04 US disclosed
US-20170101384-A1 ANDROGEN RECEPTOR ANTAGONISTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2017-04-13 US disclosed
US-20170066724-A1 ANALOGS OF FEXARAMINE AND METHODS OF MAKING AND USING SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2017-03-09 US disclosed
US-20160000785-A1 Novel Imidazole Amines as Modulators of Kinase Activity MERCK PATENT GMBH (DE) 2016-01-07 US disclosed
US-20160000785-A1 Novel Imidazole Amines as Modulators of Kinase Activity MERCK PATENT GMBH (DE) 2016-01-07 US disclosed
US-9145392-B2 Imidazole amines as modulators of kinase activity MERCK PATENT GMBH (DE) 2015-09-29 US disclosed
US-9145392-B2 Imidazole amines as modulators of kinase activity MERCK PATENT GMBH (DE) 2015-09-29 US disclosed
US-20140343029-A1 Novel Imidazole Amines as Modulators of Kinase Activity MERCK PATENT GMBH (DE) 2014-11-20 US disclosed
US-20140343029-A1 Novel Imidazole Amines as Modulators of Kinase Activity MERCK PATENT GMBH (DE) 2014-11-20 US disclosed
US-8354540-B2 2-aminopyridine analogs as glucokinase activators ARRAY BIOPHARMA INC. (US) 2013-01-15 US disclosed
US-7501408-B2 Inhibitors of cathepsin S IRM LLC (BM) 2009-03-10 US disclosed
US-20080293674-A1 Azinyl Imidazoazine and Azinyl Carboxamide BAYER CROPSCIENCE AG (DE) 2008-11-27 US disclosed
US-20080167312-A1 PREPARATION AND UTILITY OF SUBSTITUTED ALLYLAMINES AUSPEX PHARMACEUTICALS, INC. (US) 2008-07-10 US disclosed
WO-2008073863-A2 PREPARATION AND UTILITY OF SUBSTITUTED ALLYLAMINES AUSPEX PHARMACEUTICALS, INC. (US) 2008-06-19 WO disclosed
US-20080108595-A1 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2008-05-08 US disclosed
US-7314872-B2 Inhibitors of cathepsin S IRM LLC (BM) 2008-01-01 US disclosed
EP-1658267-A4 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2007-08-01 EP disclosed
EP-1658267-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2006-05-24 EP disclosed
US-20050113356-A1 Inhibitors of cathepsin S IRM LLC (BM) 2005-05-26 US disclosed
WO-2005034848-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2005-04-21 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 (9 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-20080293674-A1 Azinyl Imidazoazine and Azinyl Carboxamide AZI2, NISCH, ZYX NFE2L2 1637/4885HCAR2 758/4885KEAP1 3107/4885
US-20180000768-A1 INTESTINAL FXR AGONISM ENHANCES GLP-1 SIGNALING TO RESTORE PANCREATIC BETA CELL FUNCTIONS GLP1R, GIPR, FXR1 NFE2L2 1902/4885HCAR2 128/4885KEAP1 945/4885
US-20160000785-A1 Novel Imidazole Amines as Modulators of Kinase Activity MAP3K11, MAP3K20, MAP3K19 NFE2L2 1207/4885HCAR2 2273/4885KEAP1 1429/4885
US-20170066724-A1 ANALOGS OF FEXARAMINE AND METHODS OF MAKING AND USING FXR2, FXR1, SLC10A2 NFE2L2 375/4885HCAR2 57/4885KEAP1 497/4885
US-20080167312-A1 PREPARATION AND UTILITY OF SUBSTITUTED ALLYLAMINES UGT1A7, UGT2B7, UGT1A10 NFE2L2 1258/4885HCAR2 4353/4885KEAP1 491/4885
US-20140343029-A1 Novel Imidazole Amines as Modulators of Kinase Activity MAP3K11, MAP3K20, MAP3K19 NFE2L2 1207/4885HCAR2 2273/4885KEAP1 1429/4885
US-20080108595-A1 INHIBITORS OF CATHEPSIN S CTSS, CTSB, CTSZ NFE2L2 3420/4885HCAR2 2625/4885KEAP1 2818/4885
US-20170101384-A1 ANDROGEN RECEPTOR ANTAGONISTS AR, LHCGR, FSHR NFE2L2 2490/4885HCAR2 136/4885KEAP1 2974/4885
US-20050113356-A1 Inhibitors of cathepsin S CTSS, CTSB, CTSZ NFE2L2 3420/4885HCAR2 2625/4885KEAP1 2818/4885

“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.