SCHEMBL6539743

SCHEMBL6539743

COc1ccc(-c2nc(C(F)F)oc2-c2ccc(CCOS(C)(=O)=O)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 9/20 0.38
HDAC6 Q9UBN7 1/20 0.36
PTGS2 P35354 4/20 0.35
APLNR P35414 1/20 0.34
PPARA Q07869 2/20 0.34
PTGS1 P23219 1/20 0.34
MAOB P27338 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA5A P35218 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 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
SCHEMBL6540435 0.84 CA12 (0.44) PPARDHDAC6CA12CA1CA2
SCHEMBL6539133 0.82 PTGS2 (0.43) PPARDHDAC6PTGS2MAOB
SCHEMBL6538981 0.82 MAOB (0.54) PPARDHDAC6MAOB
SCHEMBL6539285 0.80 L3MBTL1 (0.47) PPARD
SCHEMBL6255182 0.79 PPARD (0.37) PPARDPTGS2PPARA
SCHEMBL6539135 0.78 PPARD (0.39) PPARDHDAC6PTGS2PPARAPTGS1
SCHEMBL6539599 0.78 SMN1; SMN2 (0.44) PPARD
SCHEMBL6538959 0.77 PPARD (0.40) PPARDHDAC6PTGS2
SCHEMBL6229912 0.77 PPARD (0.40) PPARDHDAC6PTGS2
SCHEMBL6539732 0.76 ADRA1D (0.45)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040157891-A1 Inhibitor of cox FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-12 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 (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-20040157891-A1 Inhibitor of cox PTGS1, PTGS2, PTGES2 PPARD 1747/4885HDAC6 1851/4885PTGS2 2/4885

“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.