SCHEMBL5078441

SCHEMBL5078441

CS(=O)(=O)c1ccc(-c2c(C(F)(F)F)n[nH]c2-c2ccc(F)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 18/20 0.53
PTGS1 P23219 3/20 0.50
ALDH1A1 P00352 1/20 0.48
ALOX5 P09917 1/20 0.48
CSNK1A1 P48729 1/20 0.48
CSNK1D P48730 1/20 0.48
CSNK1E P49674 1/20 0.48
MAPK11 Q15759 1/20 0.48
MAPK14 Q16539 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CSNK1A1L Q8N752 1/20 0.48

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
SCHEMBL6180483 1.00 PTGS2 (0.53) PTGS2PTGS1ALDH1A1ALOX5CSNK1A1
SCHEMBL4212020 0.99 PTGS2 (0.52) PTGS2PTGS1ALDH1A1ALOX5CSNK1A1
SCHEMBL8766048 0.89 PTGS2 (0.53) PTGS2PTGS1
SCHEMBL5141392 0.88 PTGS2 (0.60) PTGS2PTGS1
SCHEMBL8926255 0.85 PSD (0.47) PTGS2ALDH1A1
SCHEMBL8925320 0.85 PTGS2 (0.47) PTGS2PTGS1
SCHEMBL8640384 0.83 PTGS2 (0.45) PTGS2PTGS1
SCHEMBL7539198 0.82 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL6620090 0.82 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL8196144 0.81 CA2 (0.38) PTGS2PTGS1ALDH1A1MAPK14

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 65 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1539142-A2 USE OF AN AMYLOID BETA VACCINATION IN COMBINATION WITH A SELECTIVE COX-2 INHIBITOR FOR THE TREATMENT OF ALZHEIMER S DISEASE Pharmacia Corporation (US) 2005-06-15 EP claimed
EP-1536863-A1 USE OF CYCLOOXYGENASE-2 SELECTIVE INHIBITORS AND THROMBOLYTIC AGENTS FOR THE TREATMENT OR PREVENTION OF A VASO-OCCLUSIVE EVENT Pharmacia Corporation (US) 2005-06-08 EP claimed
EP-1463500-A1 USE OF COX-2 INHIBITORS IN COMBINATION WITH ANTIVIRAL AGENTS FOR THE TREATMENT OF PAPILLOMA VIRUS INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 2004-10-06 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-1406696-A1 USE OF COMPOSITIONS COMPRISING CYCLOOXYGENASE-2 SELECTIVE INHIBITORS IN COMBINATION WITH RADIATION FOR INHIBITION OR PREVENTION OF CARDIOVASCULAR DISEASE Pharmacia Corporation (US) 2004-04-14 EP claimed
WO-2004014367-A2 USE OF AN AMYLOID BETA VACCINATION IN COMBINATION WITH A SELECTIVE COX-2 INHIBITOR FOR THE TREATMENT OF ALZHEIMER'S DISEASE PHARMACIA CORPORATION (US) 2004-02-19 WO claimed
WO-2004004833-A1 USE OF CYCLOOXYGENASE-2 SELECTIVE INHIBITORS AND THROMBOLYTIC AGENTS FOR THE TREATMENT OR PREVENTION OF A VASO-OCCLUSIVE EVENT PHARMACIA CORPORATION (US) 2004-01-15 WO claimed
WO-2003059347-A1 USE OF COX-2 INHIBITORS IN COMBINATION WITH ANTIVIRAL AGENTS FOR THE TREATMENT OF PAPILLOMA VIRUS INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 2003-07-24 WO claimed
WO-2002096516-A1 USE OF COMPOSITIONS COMPRISING CYCLOOXYGENASE-2 SELECTIVE INHIBITORS IN COMBINATION WITH RADIATION FOR INHIBITION OR PREVENTION OF CARDIOVASCULAR DISEASE PHARMACIA CORPORATION (US) 2002-12-05 WO claimed
EP-0821589-A4 COMPOSITIONS AND METHODS TO PREVENT TOXICITY INDUCED BY NONSTEROIDAL ANTIINFLAMMATORY DRUGS NITROMED INC (US) 2002-05-15 EP claimed
EP-1079863-A1 USE OF A COX-2 INHIBITOR AND A NK-1 RECEPTOR ANTAGONIST FOR TREATING INFLAMMATION MERCK SHARP & DOHME LTD. (GB) 2001-03-07 EP claimed
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 claimed
EP-0821589-A1 COMPOSITIONS AND METHODS TO PREVENT TOXICITY INDUCED BY NONSTEROIDAL ANTIINFLAMMATORY DRUGS Nitromed, Inc. (US) 1998-02-04 EP claimed
WO-1996032946-A1 COMPOSITIONS AND METHODS TO PREVENT TOXICITY INDUCED BY NONSTEROIDAL ANTIINFLAMMATORY DRUGS NITROMED, INC. (US) 1996-10-24 WO claimed
WO-2018187698-A2 COMBINATION THERAPIES USING CASPASE-1 DEPENDENT ANTICANCER AGENTS AND PGE2 ANTAGONISTS TRUSTEES OF TUFTS COLLEGE (US) 2018-10-11 WO disclosed
WO-2018049014-A1 DASH INHIBITORS, AND USES RELATED THERETO TRUSTEES OF TUFTS COLLEGE (US) 2018-03-15 WO disclosed
EP-2646107-A2 AGENT DELIVERY SYSTEMS FOR SELECTIVE NEUROMODULATION Spinal Modulation Inc. (US) 2013-10-09 EP disclosed
EP-1064001-A2 METHODS AND COMPOSITIONS FOR TREATING AND PREVENTING MUCOSITIS Mucosal Therapeutics LLC (US) 2001-01-03 EP 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-1999045910-A2 METHODS AND COMPOSITIONS FOR TREATING AND PREVENTING MUCOSITIS MUCOSAL THERAPEUTICS LLC (US) 1999-09-16 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 (1 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 1/4885ALDH1A1 731/4885

“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.