SCHEMBL3552690

SCHEMBL3552690

Cc1[nH]c(/C=N/O)c(-c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)c(=O)c1Cl

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.40
PTGS2 P35354 1/20 0.35
PSD A5PKW4 1/20 0.34
MMP2 P08253 3/20 0.33
MMP9 P14780 3/20 0.33
MMP1 P03956 2/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
KIF11 P52732 1/20 0.33
NPBWR1 P48145 1/20 0.32
MCHR1 Q99705 1/20 0.32
MMP8 P22894 1/20 0.32

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
SCHEMBL3552692 1.00 SLC2A1 (0.40) SLC2A1PTGS2PSDMMP2MMP9
SCHEMBL3561371 0.92 SLC2A1 (0.46) SLC2A1PTGS2PSDMMP2MMP9
SCHEMBL3561374 0.92 SLC2A1 (0.46) SLC2A1PTGS2PSDMMP2MMP9
SCHEMBL3560081 0.88 SLC2A1 (0.42) SLC2A1PTGS2PSDKIF11NPBWR1
SCHEMBL3560079 0.88 SLC2A1 (0.42) SLC2A1PTGS2PSDKIF11NPBWR1
SCHEMBL3559270 0.87 SLC2A1 (0.43) SLC2A1PTGS2PSDMMP2MMP9
SCHEMBL4472453 0.83 SLC2A1 (0.58) SLC2A1PTGS2PSDMMP2MMP9
SCHEMBL13439206 0.80 MLYCD (0.40) SLC2A1
SCHEMBL14065684 0.80 SLC2A1 (0.36) SLC2A1
SCHEMBL3561397 0.80 SLC2A1 (0.49) SLC2A1PTGS2PSDMMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7674808-B2 Heterocyclic compounds GLAXO GROUP LIMITED (GB) 2010-03-09 US claimed
EP-2024332-A1 NOVEL HETEROCYCLIC COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-02-18 EP claimed
EP-1967515-A1 Heterocyclic compounds GLAXO GROUP LIMITED (GB) 2008-09-10 EP claimed
US-20080021073-A1 NOVEL HETEROCYCLIC COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-01-24 US claimed
WO-2007138048-A1 NOVEL HETEROCYCLIC COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-12-06 WO claimed
EP-1862459-A1 Novel heterocyclic compounds GLAXO GROUP LIMITED (GB) 2007-12-05 EP 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
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 SLC2A1 4190/4885PTGS2 1454/4885PSD 4195/4885
US-20070281977-A1 NOVEL HETEROCYCLIC COMPOUNDS CYP4B1, CYP2C19, CYP3A4 SLC2A1 4383/4885PTGS2 1115/4885PSD 4531/4885

“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.