SCHEMBL4367571

SCHEMBL4367571

CC1(C)OC(=O)C(OCc2nccs2)=C1c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 18/20 0.67
PTGS1 P23219 9/20 0.58

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
SCHEMBL4213329 0.77 PTGS2 (0.85) PTGS2PTGS1
SCHEMBL5204977 0.76 PTGS2 (0.74) PTGS2PTGS1
SCHEMBL5208636 0.76 PTGS2 (0.74) PTGS2PTGS1
SCHEMBL5207098 0.76 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL5203543 0.76 PTGS2 (0.83) PTGS2PTGS1
SCHEMBL5203049 0.75 PTGS2 (0.63) PTGS2PTGS1
SCHEMBL6957905 0.75 PTGS2 (0.73) PTGS2PTGS1
SCHEMBL6957455 0.75 PTGS2 (0.73) PTGS2PTGS1
SCHEMBL5205472 0.75 PTGS2 (0.81) PTGS2PTGS1
SCHEMBL6964255 0.75 PTGS2 (0.73) 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 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1061908-A4 COMBINATION THERAPY AND COMPOSITION FOR ACUTE CORONARY ISCHEMIC SYNDROME AND RELATED CONDITIONS MERCK & CO INC (US) 2007-01-24 EP claimed
EP-1024696-A4 COMBINATION THERAPY FOR REDUCING THE RISKS ASSOCIATED WITH CARDIO- AND CEREBROVASCULAR DISEASE MERCK & CO INC (US) 2004-07-14 EP claimed
US-20040097573-A1 Use of a COX-2 inhibitor and a NK-1 receptor antagonist for treating inflammation BOYCE SUSAN (GB) 2004-05-20 US claimed
EP-1283723-A2 COMBINATION THERAPY USING COX-2 SELECTIVE INHIBITOR AND THROMBOXANE INHIBITOR AND COMPOSITIONS THEREFOR Merck Frosst Canada & Co. (CA) 2003-02-19 EP claimed
US-20020016342-A1 Combination therapy using COX-2 selective inhibitor and thromboxane inhibitor and compositions therefor SCOLNICK EDWARD (US) 2002-02-07 US claimed
WO-2001087343-A2 COMBINATION THERAPY USING COX-2 SELECTIVE INHIBITOR AND THROMBOXANE INHIBITOR AND COMPOSITIONS THEREFOR MERCK FROSST CANADA & CO. (CA) 2001-11-22 WO claimed
US-6245797-B1 ADMINISTERING MIXTURE OF ENZYME INHIBITORS MERCK & CO., INC. 2001-06-12 US claimed
EP-1061908-A1 COMBINATION THERAPY AND COMPOSITION FOR ACUTE CORONARY ISCHEMIC SYNDROME AND RELATED CONDITIONS Merck & Co., Inc. (US) 2000-12-27 EP claimed
EP-1024696-A1 COMBINATION THERAPY FOR REDUCING THE RISKS ASSOCIATED WITH CARDIO- AND CEREBROVASCULAR DISEASE Merck & Co., Inc. (US) 2000-08-09 EP claimed
WO-1999045913-A1 COMBINATION THERAPY AND COMPOSITION FOR ACUTE CORONARY ISCHEMIC SYNDROME AND RELATED CONDITIONS MERCK & CO., INC. (US) 1999-09-16 WO claimed
WO-1999020110-A1 COMBINATION THERAPY FOR REDUCING THE RISKS ASSOCIATED WITH CARDIO- AND CEREBROVASCULAR DISEASE MERCK & CO., INC. (US) 1999-04-29 WO claimed
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-20090192211-A1 CYCLOOXYGENASE-2 INHIBITOR/HISTONE DEACETYLASE INHIBITOR COMBINATION CHEN YING-NAN PAN 2009-07-30 US disclosed
US-20090192211-A1 CYCLOOXYGENASE-2 INHIBITOR/HISTONE DEACETYLASE INHIBITOR COMBINATION CHEN YING-NAN PAN 2009-07-30 US disclosed
WO-2000018352-A2 A METHOD FOR TREATING INFLAMMATORY DISEASES BY ADMINISTERING A THROMBIN INHIBITOR MERCK & CO., INC. (US) 2000-04-06 WO disclosed
WO-1999059635-A1 USE OF A COX-2 INHIBITOR AND A NK-1 RECEPTOR ANTAGONIST FOR TREATING INFLAMMATION MERCK SHARP & DOHME LIMITED (GB) 1999-11-25 WO disclosed
WO-1999045913-A1 COMBINATION THERAPY AND COMPOSITION FOR ACUTE CORONARY ISCHEMIC SYNDROME AND RELATED CONDITIONS MERCK & CO., INC. (US) 1999-09-16 WO disclosed
WO-1999044640-A1 COMBINATION OF A SELECTIVE NMDA NR2B ANTAGONIST AND A COX-2 INHIBITOR MERCK SHARP & DOHME LIMITED (GB) 1999-09-10 WO disclosed
WO-1999020110-A1 COMBINATION THERAPY FOR REDUCING THE RISKS ASSOCIATED WITH CARDIO- AND CEREBROVASCULAR DISEASE MERCK & CO., INC. (US) 1999-04-29 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 (4 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-20090192211-A1 CYCLOOXYGENASE-2 INHIBITOR/HISTONE DEACETYLASE INHIBITOR COMBINATION HDAC2, HDAC9, HDAC1 PTGS2 6/4885PTGS1 13/4885
US-20040097573-A1 Use of a COX-2 inhibitor and a NK-1 receptor antagonist for treating inflammation PTGS1, PTGS2, PTGES2 PTGS2 2/4885PTGS1 1/4885
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
US-20020016342-A1 Combination therapy using COX-2 selective inhibitor and thromboxane inhibitor and compositions therefor PTGES2, PTGS2, PTGER1 PTGS2 2/4885PTGS1 4/4885

“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.