SCHEMBL439345

SCHEMBL439345

CC1(C)OC(=O)C(c2cccc(F)c2)=C1c1ccc(S(C)(=O)=O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 19/20 1.00
PTGS1 P23219 12/20 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
SCHEMBL29748909 1.00 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL7829907 0.90 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL27456659 0.89 PTGS2 (0.80) PTGS2PTGS1
SCHEMBL3240080 0.87 PTGS2 (0.81) PTGS2PTGS1
SCHEMBL7624385 0.86 PTGS2 (0.82) PTGS2PTGS1
SCHEMBL6991524 0.86 PTGS2 (0.76) PTGS2PTGS1
SCHEMBL7840025 0.86 PTGS2 (0.79) PTGS2PTGS1
SCHEMBL8076981 0.86 PTGS2 (0.75) PTGS2PTGS1
SCHEMBL6742631 0.86 PTGS2 (0.75) PTGS2PTGS1
SCHEMBL6994660 0.85 PTGS2 (0.74) 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 228 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1617816-B1 NANOPARTICULATE MELOXICAN FORMULATIONS ELAN PHARMA INT LTD (IE) 2009-05-13 EP claimed
EP-1938803-A2 Formulations comprising nanoparticulate meloxican Elan Pharma International Limited (IE) 2008-07-02 EP 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
EP-1617816-A2 NANOPARTICULATE MELOXICAN FORMULATIONS Elan Pharma International Limited (IE) 2006-01-25 EP claimed
WO-2005002542-A2 NANOPARTICULATE MELOXICAN FORMULATIONS ELAN PHARMA INTERNATIONAL LTD. (IE) 2005-01-13 WO claimed
US-20040229038-A1 Nanoparticulate meloxicam formulations ELAN PHARMA INTERNATIONAL LTD. 2004-11-18 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
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-20030225054-A1 Combined use of tace inhibitors and COX2 inhibitors as anti-inflammatory agents BRISTOL-MYERS SQUIBB COMPANY 2003-12-04 US claimed
JP-2003513917-A 2003-04-15 JP claimed
US-6136804-A ANTIISCHEMIC AGENTS, ANTITHROMBOTIC AGENTS, THROMBOTIC OCCLUSION AND ANTIPLATELET AGENT MERCK & CO., INC. (US) 2000-10-24 US 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
JP-2788677-B2 1998-08-20 JP claimed
EP-0853481-A1 COMPOSITIONS FOR TREATING INFLAMMATION CONTAINING CERTAIN PROSTAGLANDINS AND A SELECTIVE CYCLOOXYGENASE-2 INHIBITOR MERCK FROSST CANADA INC. (CA) 1998-07-22 EP claimed
EP-0705254-B1 PHENYL HETEROCYCLES AS CYCLOOXYGENASE-2 INHIBITORS MERCK FROSST CANADA INC (CA) 1998-05-06 EP claimed
WO-1997011701-A1 COMPOSITIONS FOR TREATING INFLAMMATION CONTAINING CERTAIN PROSTAGLANDINS AND A SELECTIVE CYCLOOXYGENASE-2 INHIBITOR MERCK-FROSST CANADA INC. (CA) 1997-04-03 WO claimed
EP-0739340-A1 PHENYL HETEROCYCLES AS COX-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1996-10-30 EP claimed
WO-1995018799-A1 PHENYL HETEROCYCLES AS COX-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1995-07-13 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 (2 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-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

“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.