SCHEMBL1075327

SCHEMBL1075327

COc1ccc(F)c(-c2cnc(Cl)n2-c2ccc(Cl)c(F)c2)c1F

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.49
PTGS1 P23219 4/20 0.49
GPBAR1 Q8TDU6 1/20 0.35
PDE4B Q07343 3/20 0.34
PDE4D Q08499 2/20 0.34
GRM1 Q13255 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
SCHEMBL1074426 0.79 PDE4B (0.37) PTGS2PTGS1PDE4BPDE4DGRM1
SCHEMBL1074015 0.75 GRM1 (0.39) PTGS2PTGS1PDE4BPDE4DGRM1
SCHEMBL19953110 0.70 PTGS2 (0.40) PTGS2PTGS1
SCHEMBL19953001 0.69 HSP90AA1 (0.42) PTGS2PTGS1
SCHEMBL19953203 0.68 PTGS2 (0.43) PTGS2PTGS1
SCHEMBL1073973 0.68 SMN1; SMN2 (0.35) PTGS2PTGS1
SCHEMBL19953168 0.67 SMN1; SMN2 (0.36) PTGS2PTGS1
SCHEMBL1075665 0.66 PTGS2 (0.34) PTGS2PTGS1GPBAR1
SCHEMBL1225604 0.65 GPBAR1 (0.35) PTGS2PTGS1GPBAR1
SCHEMBL1074066 0.65 ALDH1A1 (0.34) PTGS2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110045101-A1 FUNGICIDAL SUBSTITUTED AZOLES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2011-02-24 US claimed
EP-2274284-A2 FUNGICIDAL SUBSTITUTED AZOLES E. I. Du Pont de Nemours and Company (US) 2011-01-19 EP claimed
WO-2009137651-A2 FUNGICIDAL SUBSTITUTED AZOLES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-11-12 WO claimed
US-20110045101-A1 FUNGICIDAL SUBSTITUTED AZOLES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2011-02-24 US disclosed
EP-2274284-A2 FUNGICIDAL SUBSTITUTED AZOLES E. I. Du Pont de Nemours and Company (US) 2011-01-19 EP disclosed
WO-2009137651-A2 FUNGICIDAL SUBSTITUTED AZOLES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-11-12 WO 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 (1 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-20110045101-A1 FUNGICIDAL SUBSTITUTED AZOLES CBR3, NOX3, CBR1 PTGS2 3691/4885PTGS1 3823/4885GPBAR1 3153/4885

“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.