SCHEMBL3564002

SCHEMBL3564002

Cc1oc(CO)cc(=O)c1-c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.45
PTGS2 P35354 1/20 0.43
ESR1 P03372 5/20 0.40
NPSR1 Q6W5P4 1/20 0.38
SCN9A Q15858 2/20 0.38

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
SCHEMBL13439155 0.85 GSTP1 (0.49) PTGER4PTGS2
SCHEMBL9266183 0.84 PTGS2 (0.55) PTGER4PTGS2ESR1NPSR1
SCHEMBL9262874 0.76 PTGS2 (0.47) PTGER4PTGS2ESR1NPSR1SCN9A
SCHEMBL3559516 0.76 RET (0.39) PTGER4PTGS2SCN9A
SCHEMBL3561860 0.76 PTGS2 (0.40) PTGER4PTGS2SCN9A
SCHEMBL3559085 0.73 NPSR1 (0.52) PTGER4PTGS2NPSR1
SCHEMBL9268345 0.71 PTGS2 (0.55) PTGS2
SCHEMBL9262847 0.71 PTGS2 (0.44) PTGER4PTGS2SCN9A
SCHEMBL3552683 0.69 PTGS2 (0.48) PTGER4PTGS2NPSR1
SCHEMBL9264843 0.69 PTGS2 (0.52) PTGS2

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7674808-B2 Heterocyclic compounds GLAXO GROUP LIMITED (GB) 2010-03-09 US disclosed
US-7674808-B2 Heterocyclic compounds GLAXO GROUP LIMITED (GB) 2010-03-09 US disclosed
US-7674808-B2 Heterocyclic compounds GLAXO GROUP LIMITED (GB) 2010-03-09 US disclosed
US-7629365-B2 antimalarial agent; 3-chloro-6-(hydroxymethyl)-2-methyl-5-[4-({4-[(trifluoromethyl)oxy]phenyl}oxy)phenyl]-4(1H )-pyridinone GLAXO GROUP LIMITED (GB) 2009-12-08 US disclosed
US-7629365-B2 antimalarial agent; 3-chloro-6-(hydroxymethyl)-2-methyl-5-[4-({4-[(trifluoromethyl)oxy]phenyl}oxy)phenyl]-4(1H )-pyridinone GLAXO GROUP LIMITED (GB) 2009-12-08 US disclosed
US-7629365-B2 antimalarial agent; 3-chloro-6-(hydroxymethyl)-2-methyl-5-[4-({4-[(trifluoromethyl)oxy]phenyl}oxy)phenyl]-4(1H )-pyridinone GLAXO GROUP LIMITED (GB) 2009-12-08 US disclosed
EP-1967515-A1 Heterocyclic compounds GLAXO GROUP LIMITED (GB) 2008-09-10 EP disclosed
US-20080021073-A1 NOVEL HETEROCYCLIC COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-01-24 US disclosed
US-20080021073-A1 NOVEL HETEROCYCLIC COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-01-24 US disclosed
US-20080021073-A1 NOVEL HETEROCYCLIC COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-01-24 US disclosed
WO-2007138048-A1 NOVEL HETEROCYCLIC COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-12-06 WO disclosed
US-20070281977-A1 NOVEL HETEROCYCLIC COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-12-06 US disclosed
US-20070281977-A1 NOVEL HETEROCYCLIC COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-12-06 US disclosed
US-20070281977-A1 NOVEL HETEROCYCLIC COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-12-06 US disclosed
EP-1862459-A1 Novel heterocyclic compounds GLAXO GROUP LIMITED (GB) 2007-12-05 EP 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-20080021073-A1 NOVEL HETEROCYCLIC COMPOUNDS CYP4B1, CYP3A4, G6PD PTGER4 537/4885PTGS2 1454/4885ESR1 4710/4885
US-20070281977-A1 NOVEL HETEROCYCLIC COMPOUNDS CYP4B1, CYP2C19, CYP3A4 PTGER4 1449/4885PTGS2 1115/4885ESR1 4300/4885

“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.