SCHEMBL3480499

SCHEMBL3480499

CC(=O)OC/C(=C(/C(=O)OC/C(=C(/C(=O)O)c1ccc(F)c(F)c1)c1ccc(S(C)(=O)=O)cc1)c1ccc(F)c(F)c1)c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.42
AKR1C3 P42330 2/20 0.35
AKR1C2 P52895 1/20 0.35
AKR1C1 Q04828 1/20 0.35
ESR2 Q92731 1/20 0.34

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
SCHEMBL3480502 1.00 PTGS2 (0.42) PTGS2AKR1C3AKR1C2AKR1C1ESR2
SCHEMBL5798485 0.96 PTGS2 (0.45) PTGS2AKR1C3AKR1C2AKR1C1ESR2
SCHEMBL3480365 0.96 PTGS2 (0.45) PTGS2AKR1C3AKR1C2AKR1C1ESR2
SCHEMBL3480364 0.96 PTGS2 (0.45) PTGS2AKR1C3AKR1C2AKR1C1ESR2
SCHEMBL8421848 0.95 PTGS2 (0.44) PTGS2AKR1C3AKR1C2AKR1C1ESR2
SCHEMBL8421855 0.95 PTGS2 (0.44) PTGS2AKR1C3AKR1C2AKR1C1ESR2
SCHEMBL5794812 0.88 PTGS2 (0.40) PTGS2ESR2
SCHEMBL5794805 0.88 PTGS2 (0.40) PTGS2ESR2
Bromide SCHEMBL5796091 0.87 PTGS2 (0.39) PTGS2ESR2
Bromide SCHEMBL5796086 0.87 PTGS2 (0.39) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-2005042476-A2 PRODRUGS OF DIARYL-2-(5H)-FURANONE CYCLOOXYGENASE-2 INHIBITORS MERCK & CO., INC. (US) 2005-05-12 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-20070123587-A1 Prodrugs of diaryl-2-(5h)-furanone cyclooxygenase-2 inhibitors PTGS2, PTGES2, PTGS1 PTGS2 1/4885AKR1C3 132/4885AKR1C2 156/4885

“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.