SCHEMBL3814679

SCHEMBL3814679

CC(OC1=C(c2ccc(S(C)(=O)=O)cc2)C(C)(C)OC1=O)C1CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 18/20 1.00
PTGS1 P23219 9/20 1.00

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
SCHEMBL677786 0.89 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL8193412 0.86 PTGS2 (0.81) PTGS2PTGS1
SCHEMBL6956648 0.81 PTGS2 (0.82) PTGS2PTGS1
SCHEMBL5203537 0.81 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL8063904 0.81 PTGS2 (0.77) PTGS2PTGS1
SCHEMBL8063898 0.81 PTGS2 (0.77) PTGS2PTGS1
SCHEMBL6962469 0.81 PTGS2 (0.75) PTGS2PTGS1
SCHEMBL6953718 0.81 PTGS2 (0.80) PTGS2PTGS1
SCHEMBL6961287 0.81 PTGS2 (0.80) PTGS2PTGS1
SCHEMBL6962439 0.81 PTGS2 (0.75) 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 138 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-B1 (METHYLSULFONYL)PHENYL-2-(5H)-FURANONES AS COX-2 INHIBITORS MERCK FROSST CANADA INC (CA) 2002-12-11 EP claimed
US-20020042375-A1 Method of treating cancer HEIMBROOK DAVID C (US) 2002-04-11 US claimed
US-5981576-A (Methylsulfonyl)phenyl-2-(5H)-furanones as COX-2 inhibitors MERCK FROSST CANADA, INC. (CA) 1999-11-09 US 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-20090081309-A1 Stabilized Oral Suspension Formulation LU GUANG WEI 2009-03-26 US disclosed
US-7476744-B2 Polymorphic crystalline forms of celecoxib PFIZER INC. (US) 2009-01-13 US disclosed
EP-1492527-B1 PROCESS FOR PREPARING A FINELY SELF-EMULSIFIABLE PHARMACEUTICAL COMPOSITION PHARMACIA CORP (US) 2008-10-08 EP disclosed
EP-1355631-B1 ORAL FAST-MELT FORMULATION OF A CYCLOOXYGENASE-2 INHIBITOR PHARMACIA CORP (US) 2007-10-03 EP disclosed
US-7265134-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2007-09-04 US disclosed
US-20070202170-A1 DUAL-RELEASE COMPOSITIONS OF A CYCLOOXYGENASE-2 INHIBITOR PHARMACIA CORPORATION 2007-08-30 US disclosed
US-6169188-B1 TREATING CYCLOOXYGENASE-2 MEDIATED DISEASES MERCK FROSST CANADA & CO. (CA) 2001-01-02 US disclosed
US-6057319-A CYCLOOXYGENASE-2 INHIBITORS; NON-STEROIDAL ANTIINFLAMMATORY AGENTS MERCK FROSST CANADA & CO. (CA) 2000-05-02 US disclosed
US-6020343-A (Methylsulfonyl)phenyl-2-(5H)-furanones as COX-2 inhibitors MERCK FROSST CANADA, INC. (CA) 2000-02-01 US disclosed
US-5981576-A (Methylsulfonyl)phenyl-2-(5H)-furanones as COX-2 inhibitors MERCK FROSST CANADA, INC. (CA) 1999-11-09 US disclosed
EP-0863891-A1 (METHYLSULFONYL)PHENYL-2-(5H)-FURANONES AS COX-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1998-09-16 EP disclosed
US-5698584-A NON-STEROIDAL ANTIINFLAMMATORY AGENTS MERCK FROSST CANADA, INC. (CA) 1997-12-16 US 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 (3 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-20020042375-A1 Method of treating cancer ACP3, KLK3, FOLH1 PTGS2 14/4885PTGS1 20/4885
US-20070202170-A1 DUAL-RELEASE COMPOSITIONS OF A CYCLOOXYGENASE-2 INHIBITOR PTGS2, PTGES2, PTGER2 PTGS2 1/4885PTGS1 4/4885
US-20090081309-A1 Stabilized Oral Suspension Formulation THPO, TTPA, SLC6A6 PTGS2 1454/4885PTGS1 753/4885

“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.