SCHEMBL7456263

SCHEMBL7456263

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 7)

geneUniProtsupporting neighboursconfidence
CA12 O43570 7/20 0.46
CA1 P00915 7/20 0.46
CA2 P00918 7/20 0.46
CA9 Q16790 7/20 0.46
CHRNA7 P36544 6/20 0.42
PTGS2 P35354 7/20 0.41
PTGS1 P23219 5/20 0.41

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
SCHEMBL6746898 0.91 CA9 (0.43) CA12CA1CA2CA9PTGS2
SCHEMBL8604683 0.91 PTGS2 (0.42) CA12CA9PTGS2PTGS1
SCHEMBL7456268 0.86 F10 (0.38) CA2CA9PTGS2PTGS1
SCHEMBL7778153 0.82 PTGS2 (0.49) CA12CA1CA2CA9PTGS2
SCHEMBL6746809 0.80 CA1 (0.39) CA12CA1CA2CA9CHRNA7
SCHEMBL6314705 0.80 CA12 (0.39) CA12CA1CA2CA9CHRNA7
SCHEMBL6746904 0.77 F10 (0.37) CA12CA1CA2CA9
SCHEMBL6744826 0.76 CA1 (0.46) CA12CA1CA2CA9CHRNA7
SCHEMBL7777723 0.75 PTGS2 (0.56) CA12CA1CA2CA9PTGS2
SCHEMBL7777697 0.73 PTGS2 (0.46) CA12CA1CA2CA9CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020058810-A1 Heterocyclo substituted hydroxamic acid derivatives as cyclooxygenase-2 and 5-lipoxygenase inhibitors PHARMACIA CORPORATION 2002-05-16 US claimed
EP-0828718-A1 HETEROCYCLO SUBSTITUTED HYDROXAMIC ACID DERIVATIVES AS CYCLOOXYGENASE-2 AND 5-LIPOXYGENASE INHIBITORS G.D. SEARLE & CO. (US) 1998-03-18 EP disclosed
WO-1996038418-A1 HETEROCYCLO SUBSTITUTED HYDROXAMIC ACID DERIVATIVES AS CYCLOOXYGENASE-2 AND 5-LIPOXYGENASE INHIBITORS G.D. SEARLE & CO. (US) 1996-12-05 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-20020058810-A1 Heterocyclo substituted hydroxamic acid derivatives as cyclooxygenase-2 and 5-lipoxygenase inhibitors ALOX5, ALOX12, ALOX15 CA12 3463/4885CA1 1781/4885CA2 940/4885

“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.