SCHEMBL3561860

SCHEMBL3561860

Cc1[nH]c(CO)cc(=O)c1-c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.40
DAO P14920 1/20 0.40
SLC2A1 P11166 1/20 0.39
GPR84 Q9NQS5 1/20 0.39
PTGER4 P35408 1/20 0.38
SCN9A Q15858 3/20 0.38
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37

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
SCHEMBL13439154 0.85 GSTP1 (0.49) SLC2A1GPR84
SCHEMBL9262847 0.84 PTGS2 (0.44) PTGS2DAOSLC2A1PTGER4SCN9A
SCHEMBL3562873 0.83 CHEK2 (0.43) SLC2A1SCN9A
SCHEMBL3559516 0.81 RET (0.39) PTGS2GPR84PTGER4SCN9AMMP2
SCHEMBL3556733 0.77 SLC2A1 (0.48) PTGS2SLC2A1PTGER4SCN9AMMP2
SCHEMBL3564002 0.76 PTGER4 (0.45) PTGS2PTGER4SCN9A
SCHEMBL9267616 0.76 SLC2A1 (0.39) PTGS2DAOSLC2A1SCN9A
SCHEMBL3110262 0.74 SLC2A1 (0.43) PTGS2SLC2A1PTGER4SCN9AMMP2
SCHEMBL18412689 0.74 MAT2A (0.40) SLC2A1PTGER4
SCHEMBL18412690 0.73 SLC2A1 (0.42) SLC2A1

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 14 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

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 PTGS2 1454/4885DAO 2559/4885SLC2A1 4190/4885
US-20070281977-A1 NOVEL HETEROCYCLIC COMPOUNDS CYP4B1, CYP2C19, CYP3A4 PTGS2 1115/4885DAO 1589/4885SLC2A1 4383/4885

“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.