SCHEMBL3480155

SCHEMBL3480155

CS(=O)(=O)c1ccc(C(CO)=C(CO)c2ccc(F)c(F)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 13/20 0.52
ESR2 Q92731 3/20 0.49
PTGS1 P23219 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
SCHEMBL5807999 1.00 PTGS2 (0.52) PTGS2ESR2PTGS1
SCHEMBL3480153 1.00 PTGS2 (0.52) PTGS2ESR2PTGS1
SCHEMBL4435487 0.88 PTGS2 (0.48) PTGS2ESR2PTGS1
SCHEMBL4435494 0.88 PTGS2 (0.48) PTGS2ESR2PTGS1
SCHEMBL5798677 0.87 PTGS2 (0.45) PTGS2ESR2
SCHEMBL3866203 0.83 ESR2 (0.66) PTGS2ESR2
SCHEMBL3866202 0.83 ESR2 (0.66) PTGS2ESR2
SCHEMBL3480237 0.83 PTGS2 (0.40) PTGS2ESR2PTGS1
SCHEMBL3480240 0.83 PTGS2 (0.40) PTGS2ESR2PTGS1
SCHEMBL4423118 0.83 PTGS2 (0.40) PTGS2ESR2PTGS1

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 12 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-7687541-B2 Prodrugs of diaryl-2-(5H)-furanone cyclooxygenase-2 inhibitors MERCK & CO., INC. (US) 2010-03-30 US disclosed
EP-1678126-A4 PRODRUGS OF DIARYL-2-(5H)-FURANONE CYCLOOXYGENASE-2 INHIBITORS MERCK & CO INC (US) 2007-08-22 EP disclosed
US-20070123587-A1 Prodrugs of diaryl-2-(5h)-furanone cyclooxygenase-2 inhibitors MERCK SHARP & DOHME CORP. 2007-05-31 US disclosed
EP-1678126-A2 PRODRUGS OF DIARYL-2-(5H)-FURANONE CYCLOOXYGENASE-2 INHIBITORS Merck & Co., Inc. (US) 2006-07-12 EP disclosed
WO-2006044230-A1 WATER SOLUBLE PRODRUGS OF COX-2 INHIBITORS MERCK & CO., INC. (US) 2006-04-27 WO disclosed
WO-2005042476-A2 PRODRUGS OF DIARYL-2-(5H)-FURANONE CYCLOOXYGENASE-2 INHIBITORS MERCK & CO., INC. (US) 2005-05-12 WO 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

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-20070123587-A1 Prodrugs of diaryl-2-(5h)-furanone cyclooxygenase-2 inhibitors PTGS2, PTGES2, PTGS1 PTGS2 1/4885ESR2 1618/4885PTGS1 3/4885

“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.