SCHEMBL3814682

SCHEMBL3814682

CC1(C)OC(=O)C(OCCC2CC2)=C1c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.79

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 18/20 0.79
PTGS1 P23219 10/20 0.79

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
Firocoxib SCHEMBL1383179 0.88 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL4213329 0.84 PTGS2 (0.85) PTGS2PTGS1
SCHEMBL5203543 0.83 PTGS2 (0.83) PTGS2PTGS1
SCHEMBL5205472 0.82 PTGS2 (0.81) PTGS2PTGS1
SCHEMBL5208636 0.81 PTGS2 (0.74) PTGS2PTGS1
SCHEMBL6957455 0.80 PTGS2 (0.73) PTGS2PTGS1
SCHEMBL20289792 0.79 PTGS2 (0.83) PTGS2PTGS1
SCHEMBL5210738 0.78 PTGS2 (0.97) PTGS2PTGS1
SCHEMBL5204977 0.78 PTGS2 (0.74) PTGS2PTGS1
SCHEMBL15714003 0.78 PTGS2 (0.80) PTGS2PTGS1

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 70 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1263467-B1 PASTE FORMULATIONS COMPRISING SILICA MERIAL LTD (GB) 2006-05-31 EP claimed
EP-0863891-A1 (METHYLSULFONYL)PHENYL-2-(5H)-FURANONES AS COX-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1998-09-16 EP claimed
WO-1997014691-A1 (METHYLSULFONYL)PHENYL-2-(5H)-FURANONES AS COX-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1997-04-24 WO claimed
EP-1617822-A4 TABLETS AND METHODS FOR MODIFIED RELEASE OF HYDROPHILIC AND OTHER ACTIVE AGENTS YAMANOUCHI PHARMA TECH INC (US) 2009-08-12 EP disclosed
US-20090197833-A1 Silicon Containing Compounds Having Selective Cox-2 Inhibitory Activity and Methods of Making and Using the Same ENGLEBIENNE & ASSOCIATES (BE) 2009-08-06 US disclosed
US-20090197833-A1 Silicon Containing Compounds Having Selective Cox-2 Inhibitory Activity and Methods of Making and Using the Same ENGLEBIENNE & ASSOCIATES (BE) 2009-08-06 US disclosed
US-7521435-B2 Silicon containing compounds having selective COX-2 inhibitory activity and methods of making and using the same PHARMA DIAGNOSTICS, N.V. (BE) 2009-04-21 US disclosed
US-7521435-B2 Silicon containing compounds having selective COX-2 inhibitory activity and methods of making and using the same PHARMA DIAGNOSTICS, N.V. (BE) 2009-04-21 US disclosed
EP-1617822-A2 TABLETS AND METHODS FOR MODIFIED RELEASE OF HYDROPHILIC AND OTHER ACTIVE AGENTS Yamanouchi Pharma Technologies, Inc. (US) 2006-01-25 EP disclosed
EP-1572166-A1 DERMAL DELIVERY OF A WATER-SOLUBLE SELECTIVE CYCLOOXYGENASE-2 INHIBITOR, E.G. PARECOXIB, VALDECOXIB AND BENZOPYRAN DERIVATIVES Pharmacia Corporation (US) 2005-09-14 EP disclosed
EP-1565169-A1 DERMAL DELIVERY OF A WATER-SOLUBLE SELECTIVE CYCLOOXYGENASE-2 INHIBITOR, E.G. PARECOXIB AND VALDECOXIB Pharmacia Corporation (US) 2005-08-24 EP disclosed
WO-2001062251-A1 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2001-08-30 WO disclosed
WO-2001062252-A1 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2001-08-30 WO disclosed
WO-2001045705-A1 SUSTAINED-RELEASE FORMULATION OF A CYCLOOXYGENASE-2 INHIBITOR PHARMACIA CORPORATION (US) 2001-06-28 WO disclosed
WO-2001045706-A1 DUAL-RELEASE COMPOSITIONS OF A CYCLOOXYGENASE-2- INHIBITOR PHARMACIA CORPORATION (US) 2001-06-28 WO disclosed
WO-2001041760-A2 CYCLOOXYGENASE-2 INHIBITOR COMPOSITIONS HAVING RAPID ONSET OF THERAPEUTIC EFFECT PHARMACIA CORPORATION (US) 2001-06-14 WO disclosed
EP-0904269-A1 3,4-DIARYL-2-HYDROXY-2,5-DIHYDROFURANS AS PRODRUGS TO COX-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1999-03-31 EP disclosed
EP-0863891-A1 (METHYLSULFONYL)PHENYL-2-(5H)-FURANONES AS COX-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1998-09-16 EP disclosed
WO-1997016435-A1 3,4-DIARYL-2-HYDROXY-2,5-DIHYDROFURANS AS PRODRUGS TO COX-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1997-05-09 WO disclosed
WO-1997014691-A1 (METHYLSULFONYL)PHENYL-2-(5H)-FURANONES AS COX-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1997-04-24 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-20090197833-A1 Silicon Containing Compounds Having Selective Cox-2 Inhibitory Activity and Methods of Making and Using the Same PTGS2, PTGES2, PTGS1 PTGS2 1/4885PTGS1 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.