SCHEMBL3552683

SCHEMBL3552683

Cc1cc(=O)c(-c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)c(CO[Si](C)(C)C(C)(C)C)o1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.48
PTGER4 P35408 1/20 0.39
SCN5A Q14524 1/20 0.36
NOTUM Q6P988 1/20 0.36
NPSR1 Q6W5P4 1/20 0.34
PTGS1 P23219 1/20 0.33
PSD A5PKW4 1/20 0.33

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
SCHEMBL3810142 0.87 PTGS2 (0.40) PTGS2PTGER4SCN5ANOTUMPSD
SCHEMBL3563925 0.85 PTGS2 (0.40) PTGS2NPSR1
SCHEMBL3394959 0.81 PTGS2 (0.47) PTGS2PTGS1
SCHEMBL9266183 0.78 PTGS2 (0.55) PTGS2PTGER4SCN5ANOTUMNPSR1
SCHEMBL13439131 0.72 ACHE (0.50) PTGS2PTGER4PTGS1
SCHEMBL9262874 0.71 PTGS2 (0.47) PTGS2PTGER4NPSR1
SCHEMBL3564109 0.69 MMP2 (0.40) PTGS2PTGS1
SCHEMBL3564002 0.69 PTGER4 (0.45) PTGS2PTGER4NPSR1
SCHEMBL3555649 0.67 PTGS2 (0.34) PTGS2PTGS1
SCHEMBL9262847 0.66 PTGS2 (0.44) PTGS2PTGER4SCN5ANOTUMPSD

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 8 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-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-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-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 1454/4885PTGER4 537/4885SCN5A 1710/4885
US-20070281977-A1 NOVEL HETEROCYCLIC COMPOUNDS CYP4B1, CYP2C19, CYP3A4 PTGS2 1115/4885PTGER4 1449/4885SCN5A 2798/4885

“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.