SCHEMBL213705

SCHEMBL213705

CS(=O)(=O)c1ccc(-c2nc(C(F)(F)F)[nH]c2-c2ccc(F)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 13/20 0.70
PTGS1 P23219 8/20 0.70
ALOX5 P09917 2/20 0.62
ALDH1A1 P00352 1/20 0.62
CSNK1A1 P48729 1/20 0.62
CSNK1D P48730 1/20 0.62
CSNK1E P49674 1/20 0.62
MAPK11 Q15759 1/20 0.62
MAPK14 Q16539 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
CSNK1A1L Q8N752 1/20 0.62
BRAF P15056 1/20 0.53
ESR1 P03372 1/20 0.51
ESR2 Q92731 1/20 0.51

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
SCHEMBL5698511 1.00 PTGS2 (0.70) PTGS2PTGS1ALOX5ALDH1A1CSNK1A1
SCHEMBL7085273 0.91 PTGS2 (0.68) PTGS2PTGS1ALOX5ALDH1A1CSNK1A1
SCHEMBL7088103 0.90 PTGS1 (0.55) PTGS2PTGS1ALOX5ALDH1A1CSNK1A1
SCHEMBL7084237 0.90 PTGS2 (0.55) PTGS2PTGS1ALOX5ALDH1A1CSNK1A1
SCHEMBL7084859 0.90 PTGS2 (0.67) PTGS2PTGS1ALOX5ALDH1A1CSNK1A1
SCHEMBL7088524 0.88 PTGS1 (0.68) PTGS2PTGS1ALOX5ALDH1A1CSNK1A1
SCHEMBL7084867 0.88 PTGS2 (0.54) PTGS2PTGS1ALOX5ALDH1A1CSNK1A1
SCHEMBL7488369 0.88 PTGS2 (0.64) PTGS2PTGS1ALOX5ALDH1A1CSNK1A1
SCHEMBL11087266 0.88 PTGS2 (0.64) PTGS2PTGS1ALOX5ALDH1A1CSNK1A1
SCHEMBL7480312 0.88 PTGS2 (0.64) PTGS2PTGS1ALOX5ALDH1A1CSNK1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1479385-B1 Use of cyclooxygenase-2 inhibitors in the treatment and prevention of neoplasia SEARLE LLC (US) 2008-07-02 EP claimed
CN-1332661-C Methods of treating and preventing neoplasia using cyclooxygenase-2 inhibitors SEARLE & CO (US) 2007-08-22 CN claimed
CN-1767835-A Compositions comprising cyclooxygenase-2 selective inhibitors and glucosamine for the treatment and prevention of pain and inflammation PHARMACIA CORP (US) 2006-05-03 CN claimed
EP-0843549-B1 COMPOSITIONS COMPRISING A CYCLOOXYGENASE-2 INHIBITOR AND A LEUKOTRIENE A 4 HYDROLASE INHIBITOR SEARLE & CO (US) 2006-04-12 EP claimed
CN-1697654-A Use of COx-2 inhibitors in combination with antiviral agents for the treatment of papilloma virus infections UPJOHN CO (US) 2005-11-16 CN claimed
EP-0833622-B8 COMPOSITIONS COMPRISING A CYCLOOXYGENASE-2 INHIBITOR AND A 5-LIPOXYGENASE INHIBITOR SEARLE & CO (US) 2005-10-12 EP claimed
CN-1660083-A Method of using benzenesulphoamides that are cyclooxygenase-2-inhibitors in the treatment and prevention of neoplasia G D SIORL & CO (US) 2005-08-31 CN claimed
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-1509224-A1 METHODS USING A COMBINATION OF A 3-HETEROARYL-2-INDOLINONE AND A CYCLOOXYGENASE-2 INHIBITOR FOR THE TREATMENT OF NEOPLASIA Pharmacia Corporation (US) 2005-03-02 EP claimed
EP-0932402-A1 METHOD OF USING CYCLOOXYGENASE-2 INHIBITORS IN THE TREATMENT AND PREVENTION OF NEOPLASIA G.D. SEARLE & CO. (US) 1999-08-04 EP claimed
WO-1998022101-A2 METHOD OF USING CYCLOOXYGENASE-2 INHIBITORS AS ANTI-ANGIOGENIC AGENTS G.D. SEARLE & CO. (US) 1998-05-28 WO claimed
EP-0843549-A1 COMPOSITIONS COMPRISING A CYCLOOXYGENASE-2 INHIBITOR AND A LEUKOTRIENE A 4? HYDROLASE INHIBITOR G.D. SEARLE & CO. (US) 1998-05-27 EP claimed
WO-1998016227-A1 METHOD OF USING CYCLOOXYGENASE-2 INHIBITORS IN THE TREATMENT AND PREVENTION OF NEOPLASIA G.D. SEARLE & CO. (US) 1998-04-23 WO claimed
EP-0833622-A1 COMPOSITIONS COMPRISING A CYCLOOXYGENASE-2 INHIBITOR AND A 5-LIPOXYGENASE INHIBITOR G.D. SEARLE & CO. (US) 1998-04-08 EP claimed
EP-0833664-A1 COMBINATION OF A CYCLOOXYGENASE-2 INHIBITOR AND A LEUKOTRIENE B 4? RECEPTOR ANTAGONIST FOR THE TREATMENT OF INFLAMMATIONS G.D. SEARLE & CO. (US) 1998-04-08 EP claimed
WO-1996041645-A1 COMBINATION OF A CYCLOOXYGENASE-2 INHIBITOR AND A LEUKOTRIENE B4 RECEPTOR ANTAGONIST FOR THE TREATMENT OF INFLAMMATIONS G.D. SEARLE & CO. (US) 1996-12-27 WO claimed
WO-1996041626-A1 COMPOSITIONS COMPRISING A CYCLOOXYGENASE-2 INHIBITOR AND A 5-LIPOXYGENASE INHIBITOR G.D. SEARLE & CO. (US) 1996-12-27 WO claimed
WO-1996041625-A1 COMPOSITIONS COMPRISING A CYCLOOXYGENASE-2 INHIBITOR AND A LEUKOTRIENE A4 HYDROLASE INHIBITOR G.D. SEARLE & CO. (US) 1996-12-27 WO claimed
WO-1996003387-A1 4,5-SUBSTITUTED IMIDAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-02-08 WO claimed