SCHEMBL13624614

SCHEMBL13624614

COC(=O)/C(=C(\COC(=O)OCCCC(CO[N+](=O)[O-])O[N+](=O)[O-])c1ccc(S(C)(=O)=O)cc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 5/20 0.44
PTGS2 P35354 7/20 0.39
PTGS1 P23219 2/20 0.39

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
SCHEMBL13624616 0.93 ESR2 (0.44) ESR2PTGS2PTGS1
SCHEMBL4365668 0.93 ESR2 (0.46) ESR2PTGS2PTGS1
SCHEMBL4365677 0.93 ESR2 (0.46) ESR2PTGS2PTGS1
SCHEMBL13622000 0.89 ESR2 (0.46) ESR2PTGS2PTGS1
SCHEMBL13624615 0.88 ESR2 (0.47) ESR2PTGS2PTGS1
SCHEMBL14516369 0.87 ESR2 (0.58) ESR2PTGS2
SCHEMBL13621997 0.87 ESR2 (0.47) ESR2PTGS2PTGS1
SCHEMBL13621982 0.87 ESR2 (0.47) ESR2PTGS2PTGS1
SCHEMBL14516348 0.86 ESR2 (0.57) ESR2PTGS2
SCHEMBL14516399 0.86 ESR2 (0.57) ESR2PTGS2

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
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

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 ESR2 1536/4885PTGS2 3/4885PTGS1 2/4885

“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.