SCHEMBL6744826

SCHEMBL6744826

CN(O)C(=O)C=Cn1cc(-c2ccc(Cl)cc2)c(-c2ccc(S(N)(=O)=O)cc2)n1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA1 P00915 9/20 0.46
CA2 P00918 9/20 0.46
CA12 O43570 8/20 0.46
CA9 Q16790 8/20 0.46
PTGS2 P35354 8/20 0.41
PTGS1 P23219 5/20 0.41
CHRNA7 P36544 2/20 0.40
CA4 P22748 1/20 0.39
CA7 P43166 1/20 0.39

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
SCHEMBL6747452 0.91 CA9 (0.43) CA1CA2CA12CA9PTGS2
SCHEMBL6744830 0.86 F10 (0.40) PTGS2PTGS1
SCHEMBL7777960 0.82 PTGS2 (0.49) CA1CA2CA12CA9PTGS2
SCHEMBL6314715 0.80 CA1 (0.39) CA1CA2CA12CA9PTGS2
SCHEMBL8634974 0.78 CA9 (0.39) CA1CA2CA12CA9PTGS2
SCHEMBL7454284 0.77 F10 (0.39)
SCHEMBL7456263 0.76 CA12 (0.46) CA1CA2CA12CA9PTGS2
SCHEMBL7777723 0.75 PTGS2 (0.56) CA1CA2CA12CA9PTGS2
SCHEMBL7777679 0.72 PTGS2 (0.50) PTGS2PTGS1
SCHEMBL7772843 0.72 CA9 (0.47) CA1CA2CA12CA9PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6696477-B2 AS ANTIINFLAMMATORY AGENTS PHARMACIA CORPORATION 2004-02-24 US claimed
US-20020058810-A1 Heterocyclo substituted hydroxamic acid derivatives as cyclooxygenase-2 and 5-lipoxygenase inhibitors PHARMACIA CORPORATION 2002-05-16 US claimed

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-20020058810-A1 Heterocyclo substituted hydroxamic acid derivatives as cyclooxygenase-2 and 5-lipoxygenase inhibitors ALOX5, ALOX12, ALOX15 CA1 1781/4885CA2 940/4885CA12 3463/4885

“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.