SCHEMBL6454036

SCHEMBL6454036

Cc1ccccc1-c1ncoc1-c1ccc(S(N)(=O)=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 10/20 0.60
▸ CA2 P00918 10/20 0.60
▸ CA12 O43570 8/20 0.60
▸ CA9 Q16790 8/20 0.60
▸ PTGS2 P35354 10/20 0.45
▸ CA5A P35218 2/20 0.43
▸ CA5B Q9Y2D0 2/20 0.43
▸ PTGS1 P23219 7/20 0.43
▸ CA4 P22748 2/20 0.43
▸ CA7 P43166 2/20 0.43
▸ MT-CO2 P00403 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ CA3 P07451 1/20 0.43
▸ ADRB2 P07550 1/20 0.43
▸ ADRB1 P08588 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ ADORA3 P0DMS8 1/20 0.43
▸ CHRM1 P11229 1/20 0.43
▸ ADRA2B P18089 1/20 0.43
▸ CA6 P23280 1/20 0.43

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
SCHEMBL8140692 0.82 CA2 (0.60) CA1CA2CA12CA9PTGS2
SCHEMBL5694180 0.81 CA1 (0.41) CA1CA2CA12CA9CA5A
SCHEMBL3906960 0.76 CA2 (1.00) CA1CA2CA12CA9PTGS2
SCHEMBL7504983 0.72 RXRA (0.53) CA1CA2CA12CA9PTGS2
SCHEMBL7777651 0.70 CA1 (0.63) CA1CA2CA12CA9PTGS2
SCHEMBL7217043 0.70 CA1 (0.55) CA1CA2CA12CA9PTGS2
SCHEMBL9248067 0.68 MAPK14 (0.49) PTGS2PTGS1
SCHEMBL7504402 0.68 RXRA (0.53) CA1CA2CA12CA9PTGS2
SCHEMBL7215879 0.68 CA1 (0.51) CA1CA2CA12CA9PTGS2
SCHEMBL6971198 0.68 PTGS2 (0.61) 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
EP-0880363-B1 COMBINATIONS, HAVING IMMUNOSUPPRESSIVE EFFECTS, CONTAINING A CYCLOOXYGENASE-2 INHIBITOR AND A LEUKOTRIENE A 4 HYDROLASE INHIBITOR SEARLE & CO (US) 2002-09-11 — — EP claimed
US-20050054646-A1 Compositions of a cyclooxygenase-2 selective inhibitor and an antioxidant agent for the treatment of central nervous system disorders PHARMACIA CORPORATION 2005-03-10 — — 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-20050054646-A1 Compositions of a cyclooxygenase-2 selective inhibitor and an antioxidant agent for the treatment of central nervous system disorders TXNRD2, PRDX5, PTGS2 CA1 479/4885CA2 599/4885CA12 1424/4885

“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.

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