SCHEMBL4374476

SCHEMBL4374476

O=C(Cl)OCCCC(CO[N+](=O)[O-])O[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.36
PTGS1 P23219 2/20 0.36
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA4 P22748 2/20 0.31
CA12 O43570 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL4367696 0.85 PTGS2 (0.39) PTGS2PTGS1CA1CA2CA4
SCHEMBL21682593 0.83 PTGS2 (0.36) PTGS2PTGS1CA1CA2CA4
SCHEMBL21682594 0.82 PTGS2 (0.38) PTGS2PTGS1CA1CA2CA4
SCHEMBL1243878 0.81 PTGS2 (0.38) PTGS2PTGS1CA1CA2CA4
SCHEMBL12889839 0.77 PTGS2 (0.38) PTGS2PTGS1CA1CA2CA4
SCHEMBL12889838 0.77 PTGS2 (0.38) PTGS2PTGS1CA1CA2CA4
SCHEMBL12889841 0.77 PTGS2 (0.38) PTGS2PTGS1CA1CA2CA4
SCHEMBL12889840 0.77 PTGS2 (0.38) PTGS2PTGS1CA1CA2CA4
SCHEMBL1244557 0.77 PTGS2 (0.36) PTGS2PTGS1
SCHEMBL1244559 0.77 PTGS2 (0.36) PTGS2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20080242643-A1 Nitric Oxide Releasing Prodrugs of Diaryl-2-(5H)-Furanones as Cyclooxygenase-2 Inhibitors DUFRESNE CLAUDE 2008-10-02 US disclosed
EP-1711459-A4 NITRIC OXIDE RELEASING PRODRUGS OF DIARYL-2-(5H)-FURANONES AS CYCLOOXYGENASE-2 INHIBITORS MERCK FROSST COMPANY (CA) 2008-01-02 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
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

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-20080242643-A1 Nitric Oxide Releasing Prodrugs of Diaryl-2-(5H)-Furanones as Cyclooxygenase-2 Inhibitors PTGIS, PTGS1, PTGS2 PTGS2 3/4885PTGS1 2/4885CA1 2831/4885

“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.