SCHEMBL476765

SCHEMBL476765

OC(COCc1ccccc1)(COCc1ccccc1)C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.53
POLB P06746 1/20 0.53
TSHR P16473 1/20 0.52
ALDH1A1 P00352 2/20 0.46
CA1 P00915 3/20 0.43
CES1 P23141 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
TACR1 P25103 1/20 0.41
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39

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
SCHEMBL9544613 0.81 KDM4E (0.50) KDM4EPOLBTSHRALDH1A1CA1
SCHEMBL13557891 0.80 KDM4E (0.56) KDM4EPOLBTSHRALDH1A1CA1
SCHEMBL8157722 0.79 ALDH1A1 (0.61) KDM4EPOLBTSHRALDH1A1CA1
SCHEMBL9073570 0.78 TSHR (0.58) KDM4EPOLBTSHRALDH1A1CA1
SCHEMBL29514402 0.78 KDM4E (0.46) KDM4EPOLBTSHRALDH1A1CA1
SCHEMBL9565497 0.77 KDM4E (0.62) KDM4EPOLBTSHRALDH1A1CA1
SCHEMBL9276198 0.77 KDM4E (0.62) KDM4EPOLBTSHRALDH1A1CA1
SCHEMBL95926 0.76 KDM4E (0.56) KDM4EPOLBTSHRALDH1A1CA1
SCHEMBL18640775 0.76 TSHR (0.56) KDM4EPOLBTSHRALDH1A1CA1
SCHEMBL18712396 0.76 KDM4E (0.56) KDM4EPOLBTSHRALDH1A1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120277279-A1 Non-Steroidal Glucocorticoid Inhibitors and Their Use in Treating Inflammation, Allergy and Auto-Immune Conditions GLAXO GROUP LIMITED 2012-11-01 US disclosed
US-20120277279-A1 Non-Steroidal Glucocorticoid Inhibitors and Their Use in Treating Inflammation, Allergy and Auto-Immune Conditions GLAXO GROUP LIMITED 2012-11-01 US disclosed
US-20120277279-A1 Non-Steroidal Glucocorticoid Inhibitors and Their Use in Treating Inflammation, Allergy and Auto-Immune Conditions GLAXO GROUP LIMITED 2012-11-01 US disclosed
US-8247377-B2 Non-steroidal glucocorticoid inhibitors and their use in treating inflammation, allergy and auto-immune conditions GLAXO GROUP LIMITED (GB) 2012-08-21 US disclosed
US-8247377-B2 Non-steroidal glucocorticoid inhibitors and their use in treating inflammation, allergy and auto-immune conditions GLAXO GROUP LIMITED (GB) 2012-08-21 US disclosed
US-8247377-B2 Non-steroidal glucocorticoid inhibitors and their use in treating inflammation, allergy and auto-immune conditions GLAXO GROUP LIMITED (GB) 2012-08-21 US disclosed
EP-2081910-B1 NOVEL COMPOUNDS GLAXO GROUP LTD (GB) 2012-02-01 EP disclosed
EP-2081910-B1 NOVEL COMPOUNDS GLAXO GROUP LTD (GB) 2012-02-01 EP disclosed
US-7947727-B2 Compounds GlaxoGroupLimited (GB) 2011-05-24 US disclosed
US-7947727-B2 Compounds GlaxoGroupLimited (GB) 2011-05-24 US disclosed
US-20100035926-A1 PYRAZOLE DERIVATIVES AS NON-STEROIDAL GLUCOCORTICOID RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2010-02-11 US disclosed
WO-2009050218-A1 INDAZOLES AS GLUCOCORTICOID RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2009-04-23 WO disclosed
WO-2009050221-A1 INDAZOLES AS GLUCOCORTICOID RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2009-04-23 WO disclosed
WO-2009050244-A1 INDAZOLES AS GLUCOCORTICOID RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2009-04-23 WO disclosed
WO-2009050243-A1 INDAZOLES AS GLUCOCORTICOID RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2009-04-23 WO disclosed
WO-2008074814-A1 PYRAZOLE DERIVATIVES AS NON-STEROIDAL GLUCOCORTICOID RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2008-06-26 WO disclosed
WO-2008043789-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-04-17 WO disclosed
WO-2008000777-A2 PHENYL- PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR PHARMACEUTICAL USE GLAXO GROUP LIMITED (GB) 2008-01-03 WO disclosed
WO-2008000777-A2 PHENYL- PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR PHARMACEUTICAL USE GLAXO GROUP LIMITED (GB) 2008-01-03 WO disclosed
WO-2007144327-A2 PHENYL-PYRAZOLE DERIVATIVES AS NON-STEROIDAL GLUCOCORICOID RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2007-12-21 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 (2 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-20100035926-A1 PYRAZOLE DERIVATIVES AS NON-STEROIDAL GLUCOCORTICOID RECEPTOR LIGANDS NR3C1, NR3C2, CYP11B2 KDM4E 3868/4885POLB 3922/4885TSHR 513/4885
US-20120277279-A1 Non-Steroidal Glucocorticoid Inhibitors and Their Use in Treating Inflammation, Allergy and Auto-Immune Conditions NR3C1, SERPINA6, PTGS1 KDM4E 2209/4885POLB 3896/4885TSHR 3381/4885

“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.