SCHEMBL3559516

SCHEMBL3559516

Cc1cc(=O)c(-c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)c(CO)[nH]1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.39
PTGS2 P35354 1/20 0.38
PTGER4 P35408 1/20 0.38
SCN9A Q15858 4/20 0.38
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
GPR84 Q9NQS5 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36

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
SCHEMBL13439122 0.85 GSTP1 (0.53) GPR84
SCHEMBL13049074 0.85 SCN10A (0.39)
SCHEMBL9262847 0.84 PTGS2 (0.44) RETPTGS2PTGER4SCN9AMMP2
SCHEMBL13439182 0.83 CHEK2 (0.45) SCN9A
SCHEMBL3561860 0.81 PTGS2 (0.40) PTGS2PTGER4SCN9AMMP2MMP9
SCHEMBL3110262 0.79 SLC2A1 (0.43) PTGS2PTGER4SCN9AMMP2MMP9
SCHEMBL3556733 0.77 SLC2A1 (0.48) PTGS2PTGER4SCN9AMMP2MMP9
SCHEMBL3564002 0.76 PTGER4 (0.45) PTGS2PTGER4SCN9A
SCHEMBL9267616 0.76 SLC2A1 (0.39) RETPTGS2SCN9A
SCHEMBL3397344 0.75 LMNA (0.43) RETPTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
US-20070281977-A1 NOVEL HETEROCYCLIC COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-12-06 US claimed
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
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
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 RET 3989/4885PTGS2 1454/4885PTGER4 537/4885
US-20070281977-A1 NOVEL HETEROCYCLIC COMPOUNDS CYP4B1, CYP2C19, CYP3A4 RET 2765/4885PTGS2 1115/4885PTGER4 1449/4885

“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.