SCHEMBL677786

SCHEMBL677786

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

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 8/20 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
SCHEMBL3814679 0.89 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL8063898 0.87 PTGS2 (0.77) PTGS2PTGS1
SCHEMBL5203537 0.87 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL6956648 0.87 PTGS2 (0.82) PTGS2PTGS1
SCHEMBL8063904 0.87 PTGS2 (0.77) PTGS2PTGS1
SCHEMBL6953718 0.86 PTGS2 (0.80) PTGS2PTGS1
SCHEMBL6961287 0.86 PTGS2 (0.80) PTGS2PTGS1
SCHEMBL6962439 0.86 PTGS2 (0.75) PTGS2PTGS1
SCHEMBL6962469 0.86 PTGS2 (0.75) PTGS2PTGS1
SCHEMBL5205468 0.85 PTGS1 (1.00) 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 226 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120183600-A1 NOVEL COMPOSITION FOR TREATING METABOLIC SYNDROME AND OTHER CONDITIONS CHEN CHIEN-HUNG (US) 2012-07-19 US claimed
EP-1061908-A4 COMBINATION THERAPY AND COMPOSITION FOR ACUTE CORONARY ISCHEMIC SYNDROME AND RELATED CONDITIONS MERCK & CO INC (US) 2007-01-24 EP claimed
US-20050004199-A1 Treatment of inflammation with a combination of a cyclooxygenase-2 inhibitor and an integrin alpha-v antagonist HARTMAN GEORGE (US) 2005-01-06 US claimed
US-20040192694-A1 Use of COX-2 inhibitors as gastroprokinetics MANGEL ALLEN WAYNE (US) 2004-09-30 US 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
EP-1349548-A4 METHODS AND COMPOSITIONS FOR TREATING PERIODONTAL DISEASE MERCK & CO INC (US) 2004-06-02 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
US-20040053968-A1 Methods and compositions for treating peridontal disease HARTMAN GEORGE D (US) 2004-03-18 US claimed
US-20030225054-A1 Combined use of tace inhibitors and COX2 inhibitors as anti-inflammatory agents BRISTOL-MYERS SQUIBB COMPANY 2003-12-04 US claimed
EP-1349548-A2 METHODS AND COMPOSITIONS FOR TREATING PERIODONTAL DISEASE Merck & Co., Inc. (US) 2003-10-08 EP claimed
WO-2001056573-A1 USE OF COX-2 INHIBITORS AS GASTROPROKINETICS GLAXO GROUP LIMITED (GB) 2001-08-09 WO claimed
US-6245797-B1 ADMINISTERING MIXTURE OF ENZYME INHIBITORS MERCK & CO., INC. 2001-06-12 US claimed
US-6184248-B1 Compositions and methods for treatment of neurological disorders and neurodegenerative diseases NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2001-02-06 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
CN-1200119-A (METHYLSULFONYL) PHENYL-2- (5H) -FURANONE AS CYCLOOXYGENASE-2 INHIBITORS MERCK FROSST CANADA INC (CA) 1998-11-25 CN 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20040192694-A1 Use of COX-2 inhibitors as gastroprokinetics PTGS2, PTGES2, PTGER2 PTGS2 1/4885PTGS1 5/4885
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-20030225054-A1 Combined use of tace inhibitors and COX2 inhibitors as anti-inflammatory agents TNF, PTGS1, MIF PTGS2 4/4885PTGS1 2/4885
US-20050004199-A1 Treatment of inflammation with a combination of a cyclooxygenase-2 inhibitor and an integrin alpha-v antagonist ITGAV, ITGA5, ITGB5 PTGS2 27/4885PTGS1 36/4885
US-20040053968-A1 Methods and compositions for treating peridontal disease ITGB3, ITGB5, ITGB2 PTGS2 27/4885PTGS1 45/4885

“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.