SCHEMBL3988166

SCHEMBL3988166

CC(=O)OCC(=C(C(=O)O)c1ccccc1)c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.53
ESR2 Q92731 3/20 0.47

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
SCHEMBL3988162 1.00 PTGS2 (0.53) PTGS2ESR2
SCHEMBL5072268 1.00 PTGS2 (0.53) PTGS2ESR2
SCHEMBL3864943 0.90 PTGS2 (0.48) PTGS2ESR2
SCHEMBL3864947 0.90 PTGS2 (0.48) PTGS2ESR2
SCHEMBL8425841 0.89 PTGS2 (0.50) PTGS2ESR2
SCHEMBL5798190 0.87 AKR1C3 (0.48) PTGS2ESR2
SCHEMBL5798187 0.87 AKR1C3 (0.48) PTGS2ESR2
SCHEMBL8084403 0.86 PTGS2 (0.54) PTGS2ESR2
SCHEMBL8084402 0.86 PTGS2 (0.54) PTGS2ESR2
SCHEMBL3992685 0.85 PTGS2 (0.54) PTGS2ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0788476-B1 STILBENE DERIVATIVES USEFUL AS CYCLOOXYGENASE-2 INHIBITORS MERCK FROSST CANADA INC (CA) 1999-10-20 EP claimed
US-5849943-A Stilbene derivatives useful as cyclooxygenase-2 inhibitors MERCK FROSST CANADA, INC. (CA) 1998-12-15 US claimed
EP-0788476-A1 STILBENE DERIVATIVES USEFUL AS CYCLOOXYGENASE-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1997-08-13 EP claimed
WO-1996013483-A1 STILBENE DERIVATIVES USEFUL AS CYCLOOXYGENASE-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1996-05-09 WO claimed
US-7622502-B2 Nitric oxide releasing prodrugs of diaryl-2-(5h)-furanones as cyclooxygenase-2 inhibitors MERCK FROSST CANADA & CO. (CA) 2009-11-24 US disclosed
EP-1601644-B1 NITRIC OXIDE RELEASING PRODRUGS OF DIARYL-2-(5H)-FURANONES AS CYCLOOXYGENASE-2 INHIBITORS MERCK FROSST COMPANY (CA) 2009-05-27 EP disclosed
US-20080227758-A1 Nitric Oxide Releasing Prodrugs of Diaryl-2-(5h)-Furanones as Cyclooxygenase-2 Inhibitors BERTHELETTE CARL 2008-09-18 US disclosed
EP-1711457-A4 NITRIC OXIDE RELEASING PRODRUGS OF DIARYL-2-(5H)-FURANONES AS CYCLOOXYGENASE-2 INHIBITORS MERCK FROSST COMPANY (CA) 2008-01-09 EP disclosed
US-7169809-B2 Nitric oxide releasing prodrugs of diaryl-2-(5H)-furanones as cyclooxygenase-2 inhibitors MERCK FROSST COMPANY (CA) 2007-01-30 US disclosed
EP-1711457-A1 NITRIC OXIDE RELEASING PRODRUGS OF DIARYL-2-(5H)-FURANONES AS CYCLOOXYGENASE-2 INHIBITORS Merck Frosst Company (CA) 2006-10-18 EP disclosed
EP-1601644-A1 NITRIC OXIDE RELEASING PRODRUGS OF DIARYL-2-(5H)-FURANONES AS CYCLOOXYGENASE-2 INHIBITORS Merck Frosst Canada & Co. (CA) 2005-12-07 EP disclosed
WO-2005070874-A1 NITRIC OXIDE RELEASING PRODRUGS OF DIARYL-2-(5H)-FURANONES AS CYCLOOXYGENASE-2 INHIBITORS MERCK FROSST COMPANY (CA) 2005-08-04 WO disclosed
WO-2004103955-A1 NITRIC OXIDE RELEASING PRODRUGS OF DIARYL-2-(5H)-FURANONES AS CYCLOOXYGENASE-2 INHIBITORS MERCK FROSST COMPANY (CA) 2004-12-02 WO disclosed
US-20040176331-A1 Nitric oxide releasing prodrugs of diaryl-2-(5H)-furanones as cyclooxygenase-2 inhibitors MERCK FROSST COMPANY (CA) 2004-09-09 US disclosed
EP-0788476-B1 STILBENE DERIVATIVES USEFUL AS CYCLOOXYGENASE-2 INHIBITORS MERCK FROSST CANADA INC (CA) 1999-10-20 EP disclosed
US-5849943-A Stilbene derivatives useful as cyclooxygenase-2 inhibitors MERCK FROSST CANADA, INC. (CA) 1998-12-15 US disclosed
EP-0788476-A1 STILBENE DERIVATIVES USEFUL AS CYCLOOXYGENASE-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1997-08-13 EP disclosed
WO-1996013483-A1 STILBENE DERIVATIVES USEFUL AS CYCLOOXYGENASE-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1996-05-09 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 (2 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-20040176331-A1 Nitric oxide releasing prodrugs of diaryl-2-(5H)-furanones as cyclooxygenase-2 inhibitors PTGIS, PTGS1, PTGS2 PTGS2 3/4885ESR2 1609/4885
US-20080227758-A1 Nitric Oxide Releasing Prodrugs of Diaryl-2-(5h)-Furanones as Cyclooxygenase-2 Inhibitors PTGIS, PTGS1, PTGS2 PTGS2 3/4885ESR2 1631/4885

“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.