SCHEMBL8229760

SCHEMBL8229760

FC1(F)CCC(NCl)CC1

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.36
IDH1 O75874 7/20 0.33
IDH2 P48735 3/20 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
SCHEMBL12886386 0.84
SCHEMBL15426694 0.84
SCHEMBL13431718 0.74 ALDH1A1 (0.38) EPHX2IDH1IDH2
SCHEMBL12819706 0.72 EPHX2 (0.36) EPHX2IDH1IDH2
Hydrochloric Acid SCHEMBL3235396 0.72 ALDH1A1 (0.36) EPHX2IDH1IDH2
SCHEMBL19687459 0.72 EPHX2 (0.40) EPHX2IDH1IDH2
SCHEMBL1717640 0.72 EPHX2 (0.36) EPHX2IDH1IDH2
SCHEMBL13178176 0.72 EPHX2 (0.37) EPHX2
SCHEMBL178464 0.72 EPHX2 (0.40) EPHX2IDH1IDH2
SCHEMBL27573855 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9850277-B2 Therapeutically active compositions and their methods of use AGIOS PHARMACEUTICALS, INC. (US) 2017-12-26 US disclosed
WO-2017139697-A9 BACTERIA ENGINEERED TO TREAT DISEASES ASSOCIATED WITH HYPERAMMONEMIA SYNLOGIC, INC. (US) 2017-12-07 WO disclosed
WO-2017162156-A1 IRIDINESULFONAMIDE COMPOUND AND USE METHOD THEREOF 正大天晴药业集团股份有限公司 2017-09-28 WO disclosed
US-20170057994-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE SERVIER PHARMACEUTICALS LLC 2017-03-02 US disclosed
US-20170015703-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE SERVIER PHARMACEUTICALS LLC 2017-01-19 US disclosed
US-9474779-B2 Therapeutically active compositions and their methods of use AGIOS PHARMACEUTICALS, INC. (US) 2016-10-25 US disclosed
US-20160264621-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2016-09-15 US disclosed
US-20160130298-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE SERVIER PHARMACEUTICALS LLC 2016-05-12 US disclosed
US-20150031627-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2015-01-29 US disclosed
WO-2015010297-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC. (US) 2015-01-29 WO disclosed
US-20090325952-A1 PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS GLAXO GROUP LIMITED 2009-12-31 US disclosed
US-20090326003-A1 PYRAZOLO (3, 4-B) PYRIDINE DERIVATIVES AS PDE4 INHIBITORS GLAXO GROUP LIMITED (GB) 2009-12-31 US disclosed
US-20090318494-A1 PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS GLAXO GROUP LIMITED 2009-12-24 US disclosed
US-20090131431-A1 Pyrazolo[3,4-b]pyridine compounds, and their use as a PDE4 inhibitors GLAXO GROUP LIMITED (GB) 2009-05-21 US disclosed
US-7528148-B2 Pyrazolo[3,4-B]pyridine compounds, and their use as phosphodiesterase inhibitors GLAXO GROUP LIMITED (GB) 2009-05-05 US disclosed
US-20080175914-A1 Pyrazolo[3,4-b]Pyridine Compounds, and their Use as Phosphodiesterase Inhibitors GLAXO GROUP LIMITED 2008-07-24 US disclosed
US-20080132536-A1 PYRAZOLO [3,4-B] PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS GLAXO GROUP LIMITED 2008-06-05 US disclosed
US-20080058369-A1 Pyrazolo[3,4-b]pyridine compounds, and their use as PDE4 inhibitors GLAXO GROUP LIMITED (GB) 2008-03-06 US disclosed
WO-2008015416-A1 PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS GLAXO GROUP LIMITED (GB) 2008-02-07 WO disclosed
US-20070111995-A1 Pyrazolo [3,4-B] pyridine Compounds and Their Use as Phosphodiesterase Inhibitors GLAXO GROUP LIMITED (GB) 2007-05-17 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 (13 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-20090326003-A1 PYRAZOLO (3, 4-B) PYRIDINE DERIVATIVES AS PDE4 INHIBITORS PDE4A, PDE4B, PDE12 EPHX2 953/4885IDH1 3065/4885IDH2 3004/4885
US-20150031627-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE IDH1, IDH3B, IDH3A EPHX2 1564/4885IDH1 1/4885IDH2 4/4885
US-20170015703-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE IDH1, IDH3B, IDH3A EPHX2 1366/4885IDH1 1/4885IDH2 4/4885
US-20080132536-A1 PYRAZOLO [3,4-B] PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS PDE4A, PDE4B, PDE4C EPHX2 155/4885IDH1 2916/4885IDH2 2870/4885
US-20070111995-A1 Pyrazolo [3,4-B] pyridine Compounds and Their Use as Phosphodiesterase Inhibitors PDE4B, PDE3B, PDE4A EPHX2 1135/4885IDH1 588/4885IDH2 497/4885
US-20090131431-A1 Pyrazolo[3,4-b]pyridine compounds, and their use as a PDE4 inhibitors PDE4B, PDE3B, PDE4A EPHX2 186/4885IDH1 2578/4885IDH2 2049/4885
US-20090325952-A1 PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS PDE4B, PDE4A, PDE12 EPHX2 1384/4885IDH1 1459/4885IDH2 1117/4885
US-20080058369-A1 Pyrazolo[3,4-b]pyridine compounds, and their use as PDE4 inhibitors PDE4A, PDE4B, PDE3B EPHX2 956/4885IDH1 2315/4885IDH2 1728/4885
US-20080175914-A1 Pyrazolo[3,4-b]Pyridine Compounds, and their Use as Phosphodiesterase Inhibitors PDE5A, PDE3B, PDE4A EPHX2 1107/4885IDH1 2358/4885IDH2 2289/4885
US-20090318494-A1 PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS PDE4B, PDE4A, PDE12 EPHX2 1164/4885IDH1 1667/4885IDH2 833/4885
US-20160130298-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE IDH1, IDH3B, IDH3A EPHX2 1366/4885IDH1 1/4885IDH2 4/4885
US-20160264621-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE IDH1, IDH3B, IDH3A EPHX2 1686/4885IDH1 1/4885IDH2 4/4885
US-20170057994-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE IDH1, IDH3B, IDH3A EPHX2 1564/4885IDH1 1/4885IDH2 4/4885

“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.