SCHEMBL4159151

SCHEMBL4159151

COC(=O)c1c(C(=O)OC)c(O)c2ncccc2c1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.57
▸ BRD4 O60885 1/20 0.48
▸ PSMD14 O00487 1/20 0.48
▸ MAP2K1 Q02750 1/20 0.48
▸ CA12 O43570 1/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CA7 P43166 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ CA14 Q9ULX7 1/20 0.46
▸ EGLN1 Q9GZT9 1/20 0.43
▸ L3MBTL1 Q9Y468 4/20 0.43
▸ GAA P10253 1/20 0.43
▸ HSP90AA1 P07900 4/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ TP53 P04637 3/20 0.42
▸ HTT P42858 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ TDP1 Q9NUW8 3/20 0.42

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
SCHEMBL4159158 0.95 KDM4E (0.54) KDM4EBRD4PSMD14MAP2K1CA12
SCHEMBL1735750 0.83 ALDH1A1 (0.50) KDM4EBRD4CA12CA1CA2
SCHEMBL10405102 0.79 SLC10A2 (0.47) KDM4EL3MBTL1HSP90AA1MEN1TP53
SCHEMBL4065155 0.78 KDM4E (0.55) KDM4EBRD4PSMD14MAP2K1EGLN1
SCHEMBL3241312 0.77 KDM4E (0.54) KDM4EBRD4PSMD14MAP2K1EGLN1
SCHEMBL12426308 0.77 KDM4E (0.47) KDM4EBRD4MAP2K1CA12CA1
SCHEMBL4062569 0.76 KDM4E (0.52) KDM4EBRD4PSMD14MAP2K1EGLN1
SCHEMBL29810195 0.76 KDM4E (0.46) KDM4EMAP2K1CA12CA1CA2
SCHEMBL13943542 0.76 KDM4E (0.46) KDM4ECA12CA1CA2CA7
SCHEMBL13993803 0.76 KDM4E (0.52) KDM4EBRD4PSMD14MAP2K1EGLN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1885722-B1 QUINOLINE DERIVATIVES AS EP4 ANTAGONISTS MERCK CANADA INC (CA) 2011-11-16 — — EP disclosed
US-8013159-B2 Quinoline derivatives as EP4 antagonists MERCK CANADA INC. (CA) 2011-09-06 — — US disclosed
US-8013159-B2 Quinoline derivatives as EP4 antagonists MERCK CANADA INC. (CA) 2011-09-06 — — US disclosed
US-20090099226-A1 Quinoline derivatives as ep4 antagonists MERCK CANADA INC. (CA) 2009-04-16 — — US disclosed
US-20090099226-A1 Quinoline derivatives as ep4 antagonists MERCK CANADA INC. (CA) 2009-04-16 — — US disclosed
US-20090029939-A1 Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES, INC. 2009-01-29 — — US disclosed
US-20090029939-A1 Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES, INC. 2009-01-29 — — US disclosed
US-20090029939-A1 Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES, INC. 2009-01-29 — — US disclosed
US-20080076738-A1 Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds GILEAD SCIENCES, INC. 2008-03-27 — — US disclosed
US-20080076738-A1 Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds GILEAD SCIENCES, INC. 2008-03-27 — — US disclosed
US-7253180-B2 Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES, INC. (US) 2007-08-07 — — US disclosed
EP-1742642-A2 PHOSPHONATE ANALOGS OF HIV INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2007-01-17 — — EP disclosed
US-20060217410-A1 Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES, INC. 2006-09-28 — — US disclosed
US-20060116356-A1 Phosphonate analogs of HIV integrase inhibitor compounds GILEAD SCIENCES, INC. 2006-06-01 — — US disclosed
WO-2005117904-A2 PHOSPHONATE ANALOGS OF HIV INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2005-12-15 — — WO disclosed
EP-1558613-A2 PRE-ORGANIZED TRICYCLIC INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2005-08-03 — — EP disclosed
US-20040167124-A1 Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES, INC. 2004-08-26 — — US disclosed
US-20040157804-A1 Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES, INC. 2004-08-12 — — US disclosed
WO-2004035577-A2 PRE-ORGANIZED TRICYCLIC INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2004-04-29 — — WO disclosed
WO-2004035576-A2 PRE-ORGANIZED TRICYCLIC INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2004-04-29 — — 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-20060217410-A1 Pre-organized tricyclic integrase inhibitor compounds CCNI, INTS6, CCNE1 KDM4E 1925/4885BRD4 1554/4885PSMD14 2270/4885
US-20040167124-A1 Pre-organized tricyclic integrase inhibitor compounds INTS6, INTS9, MUS81 KDM4E 1139/4885BRD4 912/4885PSMD14 2399/4885
US-20040157804-A1 Pre-organized tricyclic integrase inhibitor compounds INTS6, INTS9, MUS81 KDM4E 1139/4885BRD4 912/4885PSMD14 2399/4885
US-20090029939-A1 Pre-organized tricyclic integrase inhibitor compounds MUS81, CDKL4, INTS6 KDM4E 1594/4885BRD4 901/4885PSMD14 1953/4885
US-20060116356-A1 Phosphonate analogs of HIV integrase inhibitor compounds TYMP, PNP, PIKFYVE KDM4E 1618/4885BRD4 1486/4885PSMD14 2178/4885
US-20080076738-A1 Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds TYMP, PNP, PIKFYVE KDM4E 1618/4885BRD4 1486/4885PSMD14 2178/4885
US-20090099226-A1 Quinoline derivatives as ep4 antagonists PTGER4, PTGER1, PTGER3 KDM4E 1354/4885BRD4 135/4885PSMD14 2421/4885

“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.

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