SCHEMBL4255769

SCHEMBL4255769

COC(=O)c1ccc(C=Cc2cc(O)cc(O)c2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 0.71
▸ PTGS2 P35354 3/20 0.64
▸ CA1 P00915 5/20 0.60
▸ CA2 P00918 5/20 0.60
▸ CA12 O43570 4/20 0.60
▸ CA7 P43166 4/20 0.60
▸ CA9 Q16790 4/20 0.60
▸ CA14 Q9ULX7 4/20 0.60
▸ ALDH1A1 P00352 4/20 0.59
▸ LMNA P02545 6/20 0.58
▸ PTGS1 P23219 4/20 0.58
▸ KDM4E B2RXH2 3/20 0.58
▸ CYP1A1 P04798 2/20 0.58
▸ CYP1B1 Q16678 2/20 0.58
▸ ALOX12 P18054 1/20 0.58
▸ MAPT P10636 5/20 0.57
▸ MEN1 O00255 4/20 0.57
▸ KMT2A Q03164 4/20 0.57
▸ APP P05067 3/20 0.57
▸ NPC1 O15118 3/20 0.57

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
SCHEMBL4255766 1.00 PTPN1 (0.71) PTPN1PTGS2CA1CA2CA12
SCHEMBL18552317 0.91 PTPN1 (0.72) PTPN1PTGS2CA1CA2CA12
SCHEMBL7911576 0.89 CA1 (0.77) PTPN1CA1CA2CA12CA7
SCHEMBL71401 0.89 PTPN1 (0.73) PTPN1CA1CA2CA12CA7
SCHEMBL31301140 0.89 PTPN1 (0.73) PTPN1CA1CA2CA12CA7
SCHEMBL71402 0.89 PTPN1 (0.73) PTPN1CA1CA2CA12CA7
SCHEMBL2627847 0.89 PTPN1 (0.73) PTPN1CA1CA2CA12CA7
SCHEMBL5379059 0.89 PTPN1 (0.73) PTPN1CA1CA2CA12CA7
SCHEMBL3676636 0.85 PTPN1 (0.65) PTPN1PTGS2ALDH1A1LMNAPTGS1
SCHEMBL3676637 0.85 PTPN1 (0.65) PTPN1PTGS2ALDH1A1LMNAPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120172340-A1 Compositions and Methods for Selectively Activating Human Sirtuins BIOMOL INTERNATIONAL L.P. (US) 2012-07-05 — — US claimed
EP-1844157-A2 STRATEGIES FOR DESIGNING DRUGS THAT TARGET THE SIR2 FAMILY OF ENZYMES The Johns Hopkins University (US) 2007-10-17 — — EP claimed
WO-2006081329-A2 STRATEGIES FOR DESIGNING DRUGS THAT TARGET THE SIR2 FAMILY OF ENZYMES THE JOHNS HOPKINS UNIVERSITY (US) 2006-08-03 — — WO claimed
US-20060014705-A1 Compositions and methods for selectively activating human sirtuins BIOMOL INTERNATIONAL, INC. 2006-01-19 — — US claimed
US-10813934-B2 Sirtuin modulators as inhibitors of cytomegalovirus THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2020-10-27 — — US disclosed
EP-2670404-B1 SIRTUIN MODULATORS AS VIRUS PRODUCTION MODULATORS UNIV PRINCETON (US) 2018-08-29 — — EP disclosed
US-20160296523-A1 Sirtuin Modulators as Inhibitors of Cytomegalovirus THE TRUSTEES OF PRINCETON UNIVERSITY 2016-10-13 — — US disclosed
US-20130338178-A1 SIRTUIN MODULATORS AS INHIBITORS OF CYTOMEGALOVIRUS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2013-12-19 — — US disclosed
EP-2670404-A1 SIRTUIN MODULATORS AS VIRUS PRODUCTION MODULATORS The Trustees of Princeton University (US) 2013-12-11 — — EP disclosed
CN-103391777-A Sirtuin modulators as virus production modulators UNIV PRINCETON 2013-11-13 — — CN disclosed
WO-2012106509-A1 SIRTUIN MODULATORS AS VIRUS PRODUCTION MODULATORS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2012-08-09 — — WO disclosed
US-20120172340-A1 Compositions and Methods for Selectively Activating Human Sirtuins BIOMOL INTERNATIONAL L.P. (US) 2012-07-05 — — US disclosed
US-20060178356-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods GALILEO PHARMACEUTICALS, INC. 2006-08-10 — — US disclosed
US-20060014705-A1 Compositions and methods for selectively activating human sirtuins BIOMOL INTERNATIONAL, INC. 2006-01-19 — — US disclosed
EP-1435894-A4 CYTOPROTECTIVE COMPOUNDS, PHARMACEUTICAL AND COSMETIC FORMULATIONS, AND METHODS GALILEO PHARMACEUTICALS INC (US) 2005-07-06 — — EP disclosed
US-20050142155-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods JOHNSON & JOHNSON CONSUMER INC. 2005-06-30 — — US disclosed
US-20050113416-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods GALILEO PHARMACEUTICALS, INC. 2005-05-26 — — US disclosed
EP-1435894-A2 CYTOPROTECTIVE COMPOUNDS, PHARMACEUTICAL AND COSMETIC FORMULATIONS, AND METHODS Galileo Pharmaceuticals, Inc. (US) 2004-07-14 — — EP disclosed
US-20030073712-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods JOHNSON & JOHNSON CONSUMER COMPANIES, INC. 2003-04-17 — — US disclosed
WO-2003009807-A2 CYTOPROTECTIVE COMPOUNDS, PHARMACEUTICAL AND COSMETIC FORMULATIONS, AND METHODS GALILEO LABORATORIES, INC. (US) 2003-02-06 — — 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-10813934-B2 Sirtuin modulators as inhibitors of cytomegalovirus SIRT1, SIRT2, SIRT7 PTPN1 3924/4885PTGS2 2806/4885CA1 2791/4885
US-20050142155-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods HSF1, HMOX1, NQO1 PTPN1 4044/4885PTGS2 181/4885CA1 4497/4885
US-20160296523-A1 Sirtuin Modulators as Inhibitors of Cytomegalovirus SIRT1, SIRT2, SIRT7 PTPN1 3924/4885PTGS2 2806/4885CA1 2791/4885
US-20030073712-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods HSF1, HMOX1, NQO1 PTPN1 4044/4885PTGS2 181/4885CA1 4497/4885
US-20120172340-A1 Compositions and Methods for Selectively Activating Human Sirtuins SIRT1, SIRT7, SIRT5 PTPN1 4650/4885PTGS2 4443/4885CA1 3754/4885
US-20050113416-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods HSF1, HMOX1, NQO1 PTPN1 4044/4885PTGS2 181/4885CA1 4497/4885
US-20130338178-A1 SIRTUIN MODULATORS AS INHIBITORS OF CYTOMEGALOVIRUS SIRT1, SIRT2, SIRT7 PTPN1 3924/4885PTGS2 2806/4885CA1 2791/4885
US-20060178356-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods HSF1, HMOX1, NQO1 PTPN1 4044/4885PTGS2 181/4885CA1 4497/4885
US-20060014705-A1 Compositions and methods for selectively activating human sirtuins SIRT1, SIRT7, SIRT5 PTPN1 4650/4885PTGS2 4443/4885CA1 3754/4885

“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.

Send feedback