SCHEMBL3987432

SCHEMBL3987432

CC(C)(C)[Si](C)(C)OC/C(=C(\CO)c1ccc(S(C)(=O)=O)cc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.48
ESR2 Q92731 4/20 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
SCHEMBL3987438 1.00 PTGS2 (0.48) PTGS2ESR2
SCHEMBL4367492 0.89 PTGS2 (0.47) PTGS2ESR2
SCHEMBL4367496 0.89 PTGS2 (0.47) PTGS2ESR2
SCHEMBL4367488 0.88 PTGS2 (0.46) PTGS2ESR2
SCHEMBL6150553 0.88 PTGS2 (0.51) PTGS2ESR2
SCHEMBL3987417 0.87 PTGS2 (0.47) PTGS2ESR2
SCHEMBL3987412 0.87 PTGS2 (0.47) PTGS2ESR2
SCHEMBL3480237 0.85 PTGS2 (0.40) PTGS2ESR2
SCHEMBL4423118 0.85 PTGS2 (0.40) PTGS2ESR2
SCHEMBL3480240 0.85 PTGS2 (0.40) 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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
US-7622501-B2 Nitric oxide releasing prodrugs of diaryl-2-(5H)-furanones as cyclooxygenase-2 inhibitors MERCK FROSST CANADA & CO. (CA) 2009-11-24 US disclosed
US-7622501-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-20080242643-A1 Nitric Oxide Releasing Prodrugs of Diaryl-2-(5H)-Furanones as Cyclooxygenase-2 Inhibitors DUFRESNE CLAUDE 2008-10-02 US disclosed
US-20080242643-A1 Nitric Oxide Releasing Prodrugs of Diaryl-2-(5H)-Furanones as Cyclooxygenase-2 Inhibitors DUFRESNE CLAUDE 2008-10-02 US disclosed
US-20080227758-A1 Nitric Oxide Releasing Prodrugs of Diaryl-2-(5h)-Furanones as Cyclooxygenase-2 Inhibitors BERTHELETTE CARL 2008-09-18 US 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
EP-1711459-A1 NITRIC OXIDE RELEASING PRODRUGS OF DIARYL-2-(5H)-FURANONES AS CYCLOOXYGENASE-2 INHIBITORS Merck Frosst Company (CA) 2006-10-18 EP 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
US-20050261245-A1 Nitric oxide releasing prodrugs of diaryl-2-(5h)-furanones as cyclooxygenase-2 inhibitors MERCK FROSST COMPANY (CA) 2005-11-24 US 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-2005070883-A1 NITRIC OXIDE RELEASING PRODRUGS OF DIARYL-2-(5H)-FURANONES AS CYCLOOXYGENASE-2 INHIBITORS MERCK FROSST COMPANY (CA) 2005-08-04 WO disclosed
EP-1527045-A1 NITRIC OXIDE RELEASING PRODRUGS OF DIARYL-2-(5H)-FURANONES AS CYCLOOXYGENASE-2 INHIBITORS Merck Frosst Canada & Co. (CA) 2005-05-04 EP 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
WO-2004011421-A1 NITRIC OXIDE RELEASING PRODRUGS OF DIARYL-2-(5H)-FURANONES AS CYCLOOXYGENASE-2 INHIBITORS MERCK FROSST CANADA & CO. (CA) 2004-02-05 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 (4 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-20080242643-A1 Nitric Oxide Releasing Prodrugs of Diaryl-2-(5H)-Furanones as Cyclooxygenase-2 Inhibitors PTGIS, PTGS1, PTGS2 PTGS2 3/4885ESR2 1536/4885
US-20080227758-A1 Nitric Oxide Releasing Prodrugs of Diaryl-2-(5h)-Furanones as Cyclooxygenase-2 Inhibitors PTGIS, PTGS1, PTGS2 PTGS2 3/4885ESR2 1631/4885
US-20050261245-A1 Nitric oxide releasing prodrugs of diaryl-2-(5h)-furanones as cyclooxygenase-2 inhibitors PTGIS, PTGS1, PTGS2 PTGS2 3/4885ESR2 1641/4885

“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.