SCHEMBL5336468

SCHEMBL5336468

COC(=O)C(=C(C)c1ccc(S(C)(=O)=O)cc1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.60
FAAH O00519 1/20 0.45
MGLL Q99685 1/20 0.45
AKR1C2 P52895 1/20 0.44
AKR1C1 Q04828 1/20 0.44
AKR1C3 P42330 1/20 0.44

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
SCHEMBL5336464 1.00 PTGS2 (0.60) PTGS2FAAHMGLLAKR1C2AKR1C1
SCHEMBL5336461 1.00 PTGS2 (0.60) PTGS2FAAHMGLLAKR1C2AKR1C1
SCHEMBL8084023 0.87 FAAH (0.48) PTGS2FAAHMGLLAKR1C2AKR1C1
SCHEMBL4957182 0.86 TSHR (0.52)
SCHEMBL5344331 0.84 PTGS2 (0.68) PTGS2AKR1C2AKR1C1AKR1C3
SCHEMBL5344336 0.84 PTGS2 (0.68) PTGS2AKR1C2AKR1C1AKR1C3
SCHEMBL5344325 0.84 PTGS2 (0.68) PTGS2AKR1C2AKR1C1AKR1C3
SCHEMBL8425841 0.80 PTGS2 (0.50) PTGS2
SCHEMBL14516354 0.80 KMT2A (0.48) AKR1C3
SCHEMBL14516363 0.77 ESR2 (0.55) PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0882015-A1 DIPHENYL STILBENES AS PRODRUGS TO COX-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1998-12-09 EP claimed
WO-1997028120-A1 DIPHENYL STILBENES AS PRODRUGS TO COX-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1997-08-07 WO claimed
US-7199154-B2 Nitric oxide releasing prodrugs of diaryl-2-(5h)-furanones as cyclooxygenase-2 inhibitors MERCK FROSST COMPANY (CA) 2007-04-03 US disclosed
US-20050261245-A1 Nitric oxide releasing prodrugs of diaryl-2-(5h)-furanones as cyclooxygenase-2 inhibitors MERCK FROSST COMPANY (CA) 2005-11-24 US disclosed
EP-1527045-A1 NITRIC OXIDE RELEASING PRODRUGS OF DIARYL-2-(5H)-FURANONES AS CYCLOOXYGENASE-2 INHIBITORS Merck Frosst Canada & Co. (CA) 2005-05-04 EP disclosed
WO-2004011421-A1 NITRIC OXIDE RELEASING PRODRUGS OF DIARYL-2-(5H)-FURANONES AS CYCLOOXYGENASE-2 INHIBITORS MERCK FROSST CANADA & CO. (CA) 2004-02-05 WO disclosed
EP-0882015-B1 DIPHENYL STILBENES AS PRODRUGS TO COX-2 INHIBITORS MERCK FROSST CANADA INC (CA) 2000-12-27 EP disclosed
EP-0882015-A1 DIPHENYL STILBENES AS PRODRUGS TO COX-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1998-12-09 EP disclosed
WO-1997028120-A1 DIPHENYL STILBENES AS PRODRUGS TO COX-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1997-08-07 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-20050261245-A1 Nitric oxide releasing prodrugs of diaryl-2-(5h)-furanones as cyclooxygenase-2 inhibitors PTGIS, PTGS1, PTGS2 PTGS2 3/4885FAAH 400/4885MGLL 2587/4885

“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.