SCHEMBL219325

SCHEMBL219325

Cn1[c]cc(NC(=O)OC(C)(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 3/20 0.39
GSK3B P49841 1/20 0.38
DYRK1A Q13627 1/20 0.38
DRD2 P14416 1/20 0.38
MAPK14 Q16539 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA9 Q16790 1/20 0.37
PSMB8 P28062 1/20 0.37
NAMPT P43490 1/20 0.37
HDAC3 O15379 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
PTPN11 Q06124 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
LIPE Q05469 1/20 0.35
ACHE P22303 1/20 0.35

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
SCHEMBL13055402 0.73 CYP17A1 (0.59) CYP17A1DRD2MAPK14CA12CA1
SCHEMBL21268384 0.73 CA12 (0.43) CYP17A1MAPK14CA12CA1CA9
SCHEMBL18033361 0.72 CD274 (0.44) CYP17A1GSK3BDYRK1ADRD2MAPK14
SCHEMBL6133162 0.71 ALDH1A1 (0.54) CYP17A1GSK3BDYRK1ADRD2PSMB8
SCHEMBL22590 0.70 CYP17A1 (0.50) CYP17A1DRD2MAPK14CA12CA1
SCHEMBL2748080 0.70 CA12 (0.48) CYP17A1DRD2MAPK14CA12CA1
SCHEMBL352727 0.70 GSK3B (0.42) CYP17A1GSK3BDYRK1AMAPK14CA1
SCHEMBL19853212 0.69 NAMPT (0.54) CYP17A1DRD2MAPK14CA12CA1
SCHEMBL28201333 0.69 CYP17A1 (0.40) CYP17A1DRD2MAPK14CA12CA1
SCHEMBL1845748 0.69 MAPK14 (0.39) CYP17A1GSK3BDYRK1ADRD2MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070037865-A1 Silent Information Regulators; aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood clotting , increased mitochondrial activity, inflammation, cancer, and/or flushing; increased lifespan specially in mutant sir2 strains; benzimidazo drivatives SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 US claimed
US-20120197013-A1 SIRTUIN MODULATING COMPOUNDS SIRTRIS PHARMACEUTICALS, INC. (US) 2012-08-02 US disclosed
EP-2468752-A1 Thiazolopyridine derivatives as sirtuin-modulators Sirtris Pharmaceuticals, Inc. (US) 2012-06-27 EP disclosed
US-8178536-B2 Sirtuin modulating compounds SIRTRIS PHARMACEUTICALS, INC. (US) 2012-05-15 US disclosed
US-8163908-B2 Sirtuin modulating compounds SIRTRIS PHARMACEUTICALS, INC. (US) 2012-04-24 US disclosed
US-20120022254-A1 SIRTUIN MODULATING COMPOUNDS SIRTRIS PHARMACEUTICALS, INC. (US) 2012-01-26 US disclosed
US-8093401-B2 Silent Information Regulators; aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood clotting , increased mitochondrial activity, inflammation, cancer, and/or flushing; increased lifespan specially in mutant sir2 strains; imidazo[1,2-a]pyridine drivatives SIRTRIS PHARMACEUTICALS, INC. (US) 2012-01-10 US disclosed
US-8088928-B2 Sirtuin modulating compounds SIRTRIS PHARMACEUTICALS, INC. (US) 2012-01-03 US disclosed
EP-2388263-A1 Imidazo[2,1-b]thiazole derivatives as sirtuin modulators Sirtris Pharmaceuticals, Inc. (US) 2011-11-23 EP disclosed
US-20110269817-A1 COMPOSITIONS AND METHODS RELATED TO SIRT1 FUNCTION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-11-03 US disclosed
EP-1909910-A1 BENZIMIDAZOLE DERIVATIVES AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2008-04-16 EP disclosed
EP-1910380-A1 OXAZOLOPYRIDINE DERIVATIVES AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2008-04-16 EP disclosed
US-7345178-B2 Sirtuin modulating compounds SIRTRIS PHARMACEUTICALS, INC. (US) 2008-03-18 US disclosed
US-20070043050-A1 Sirtuin modulating compounds SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-22 US disclosed
US-20070037809-A1 histone deacetylase inhibitors, used for treating preventing diseases or disorders related to aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood disorders, inflammation, cancer, and/or hot flashes SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 US disclosed
US-20070037827-A1 Silent Information Regulators; aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood clotting , increased mitochondrial activity, inflammation, cancer, and/or flushing; increased lifespan specially in mutant sir2 strains; imidazo[1,2-a]pyridine drivatives SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 US disclosed
WO-2007019417-A1 OXAZOLOPYRIDINE DERIVATIVES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 WO disclosed
US-20070037865-A1 Silent Information Regulators; aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood clotting , increased mitochondrial activity, inflammation, cancer, and/or flushing; increased lifespan specially in mutant sir2 strains; benzimidazo drivatives SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 US disclosed
WO-2007019416-A1 BENZIMIDAZOLE DERIVATIVES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 WO disclosed
US-20070037810-A1 Sirtuin modulating compounds SIRTIS PHARMACEUTICALS, INC. (US) 2007-02-15 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 (8 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-20070037827-A1 Silent Information Regulators; aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood clotting , increased mitochondrial activity, inflammation, cancer, and/or flushing; increased lifespan specially in mutant sir2 strains; imidazo[1,2-a]pyridine drivatives SIRT2, SIRT1, SIRT3 CYP17A1 3268/4885GSK3B 3176/4885DYRK1A 2612/4885
US-20110269817-A1 COMPOSITIONS AND METHODS RELATED TO SIRT1 FUNCTION CRY1, PER2, SIRT1 CYP17A1 491/4885GSK3B 79/4885DYRK1A 4455/4885
US-20070037809-A1 histone deacetylase inhibitors, used for treating preventing diseases or disorders related to aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood disorders, inflammation, cancer, and/or hot flashes SIRT1, SIRT3, SIRT2 CYP17A1 1435/4885GSK3B 1181/4885DYRK1A 3969/4885
US-20070037865-A1 Silent Information Regulators; aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood clotting , increased mitochondrial activity, inflammation, cancer, and/or flushing; increased lifespan specially in mutant sir2 strains; benzimidazo drivatives SIRT2, SIRT1, SIRT3 CYP17A1 3316/4885GSK3B 2668/4885DYRK1A 3637/4885
US-20120022254-A1 SIRTUIN MODULATING COMPOUNDS SIRT1, SIRT3, SIRT2 CYP17A1 2302/4885GSK3B 676/4885DYRK1A 2520/4885
US-20120197013-A1 SIRTUIN MODULATING COMPOUNDS SIRT1, SIRT3, SIRT2 CYP17A1 2302/4885GSK3B 676/4885DYRK1A 2520/4885
US-20070043050-A1 Sirtuin modulating compounds SIRT1, SIRT3, SIRT2 CYP17A1 2359/4885GSK3B 1265/4885DYRK1A 3512/4885
US-20070037810-A1 Sirtuin modulating compounds SIRT1, SIRT3, SIRT2 CYP17A1 2359/4885GSK3B 1265/4885DYRK1A 3512/4885

“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.