SCHEMBL6539809

SCHEMBL6539809

COc1ccc(-c2nc(C(N)=O)oc2-c2ccc(OCCNC(=O)OC(C)(C)C)cc2)cn1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.46
CA1 P00915 5/20 0.46
CA2 P00918 5/20 0.46
CA9 Q16790 5/20 0.46
SUCNR1 Q9BXA5 9/20 0.41
BCHE P06276 2/20 0.40
CNR2 P34972 2/20 0.40
PPARD Q03181 1/20 0.39
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
RCE1 Q9Y256 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
SCHEMBL6272841 0.88 PPARD (0.43) PPARDMKNK1MKNK2RCE1
SCHEMBL6539408 0.85 CA12 (0.43) CA12CA1CA2CA9SUCNR1
SCHEMBL6228805 0.81 MKNK1 (0.50) CA1CA2PPARDMKNK1MKNK2
SCHEMBL6256472 0.80 PPARD (0.41) BCHECNR2PPARDMKNK1MKNK2
SCHEMBL6538954 0.79 PPARD (0.38) PPARDMKNK1MKNK2RCE1
SCHEMBL6539472 0.79 HRH3 (0.38) PPARDMKNK1MKNK2RCE1
SCHEMBL6207227 0.78 PPARD (0.44) PPARDMKNK1MKNK2RCE1
SCHEMBL6539668 0.78 MTNR1A (0.58) PPARD
SCHEMBL6539344 0.77 HPGD (0.42) CA12CA2CA9PPARDRCE1
SCHEMBL6539675 0.77 MEN1 (0.51) PPARDMKNK1MKNK2

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 CA12 3116/4885CA1 1632/4885CA2 336/4885

“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.