SCHEMBL5208809

SCHEMBL5208809

CC[C@@]1(C)OC(=O)C(Oc2ccc(OC)c(Cl)c2)=C1c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.57
PTGS1 P23219 11/20 0.54

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
SCHEMBL5210752 0.88 PTGS2 (0.71) PTGS2PTGS1
SCHEMBL5208443 0.86 PTGS2 (0.59) PTGS2PTGS1
SCHEMBL5208423 0.85 PTGS2 (0.66) PTGS2PTGS1
SCHEMBL5210571 0.85 PTGS2 (0.63) PTGS2PTGS1
SCHEMBL8926156 0.84 PTGS2 (0.39) PTGS2PTGS1
SCHEMBL5207049 0.84 PTGS2 (0.75) PTGS2PTGS1
SCHEMBL5208069 0.82 PTGS2 (0.77) PTGS2PTGS1
SCHEMBL5742230 0.82 PTGS2 (0.77) PTGS2PTGS1
SCHEMBL7263282 0.81 PTGS2 (0.74) PTGS2PTGS1
SCHEMBL5205192 0.81 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 64 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1349548-A4 METHODS AND COMPOSITIONS FOR TREATING PERIODONTAL DISEASE MERCK & CO INC (US) 2004-06-02 EP claimed
US-20040053968-A1 Methods and compositions for treating peridontal disease HARTMAN GEORGE D (US) 2004-03-18 US claimed
EP-1349548-A2 METHODS AND COMPOSITIONS FOR TREATING PERIODONTAL DISEASE Merck & Co., Inc. (US) 2003-10-08 EP claimed
EP-1322311-A1 TREATMENT OF INFLAMMATION WITH A COMBINATION OF A CYCLOOXYGENASE-2 INHIBITOR AND AN INTEGRIN ALPHA-V ANTAGONIST Merck & Co., Inc. (US) 2003-07-02 EP claimed
EP-0863891-B1 (METHYLSULFONYL)PHENYL-2-(5H)-FURANONES AS COX-2 INHIBITORS MERCK FROSST CANADA INC (CA) 2002-12-11 EP claimed
WO-2002053099-A2 METHODS AND COMPOSITIONS FOR TREATING PERIODONTAL DISEASE MERCK & CO., INC. (US) 2002-07-11 WO claimed
US-20020042375-A1 Method of treating cancer HEIMBROOK DAVID C (US) 2002-04-11 US claimed
US-20020040039-A1 Treatment of inflammation with a combination of a cyclooxygenase-2 inhibitor and an integrin alpha-v antagonist HARTMAN GEORGE (US) 2002-04-04 US claimed
WO-2002022124-A1 TREATMENT OF INFLAMMATION WITH A COMBINATION OF A CYCLOOXYGENASE-2 INHIBITOR AND AN INTEGRIN ALPHA-V ANTAGONIST MERCK & CO., INC. (US) 2002-03-21 WO 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
US-7265134-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2007-09-04 US disclosed
EP-1259235-B1 TYROSINE KINASE INHIBITORS MERCK & CO INC (US) 2007-08-01 EP disclosed
US-7186723-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2007-03-06 US disclosed
US-7109204-B2 controlling signal transduction; anticancer agents, antitumor agents, atherosclerosis, vision defects, antidiabetic agents, antiinflammatory agents MERCK & CO., INC. (US) 2006-09-19 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
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 (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-20020042375-A1 Method of treating cancer ACP3, KLK3, FOLH1 PTGS2 14/4885PTGS1 20/4885
US-20020040039-A1 Treatment of inflammation with a combination of a cyclooxygenase-2 inhibitor and an integrin alpha-v antagonist ITGAV, ITGA5, ITGA2 PTGS2 28/4885PTGS1 37/4885
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.