SCHEMBL3480327

SCHEMBL3480327

CC(=O)OC/C(=C(/CO[Si](C)(C)C(C)(C)C)c1ccc(F)c(F)c1)c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.40
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
ESR2 Q92731 2/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL3480330 1.00 PTGS2 (0.40) PTGS2LMNAMAPTESR2ALDH1A1
SCHEMBL3480411 0.94 PTGS2 (0.36) PTGS2LMNAMAPTESR2
SCHEMBL3480407 0.94 PTGS2 (0.36) PTGS2LMNAMAPTESR2
SCHEMBL3480237 0.89 PTGS2 (0.40) PTGS2ESR2
SCHEMBL4423118 0.89 PTGS2 (0.40) PTGS2ESR2
SCHEMBL3480240 0.89 PTGS2 (0.40) PTGS2ESR2
SCHEMBL3987417 0.86 PTGS2 (0.47) PTGS2ESR2
SCHEMBL3987412 0.86 PTGS2 (0.47) PTGS2ESR2
SCHEMBL4435982 0.84 PTGS2 (0.40) PTGS2LMNAMAPTESR2
SCHEMBL4435987 0.84 PTGS2 (0.40) PTGS2LMNAMAPTESR2

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 1/4885LMNA 2776/4885MAPT 4574/4885

“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.