SCHEMBL5667356

SCHEMBL5667356

CC1(C)C=CC(c2ccccc2S(N)(=O)=O)=C1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 12/20 0.39
CA1 P00915 9/20 0.39
CA9 Q16790 9/20 0.39
CA12 O43570 5/20 0.39
CA6 P23280 3/20 0.39
CA5A P35218 3/20 0.39
CA4 P22748 2/20 0.39
CA7 P43166 2/20 0.39
CA5B Q9Y2D0 2/20 0.39
CYP2C9 P11712 1/20 0.39
CA14 Q9ULX7 1/20 0.39
STAT3 P40763 1/20 0.35
ALOX5AP P20292 3/20 0.33
FEN1 P39748 3/20 0.33
PTGES2 Q9H7Z7 1/20 0.32
LDHA P00338 1/20 0.32

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
SCHEMBL1080972 0.72 CA2 (0.61) CA2CA1CA9CA12CA6
SCHEMBL8347239 0.70 CA2 (0.58) CA2CA1CA9CA12CA6
SCHEMBL6820364 0.67 CA2 (0.50) CA2CA1CA9CA12CA6
SCHEMBL8350056 0.67 CA1 (0.54) CA2CA1CA9CA12CA6
SCHEMBL1116406 0.66 CA2 (0.56) CA2CA1CA9CA12CA6
SCHEMBL8621773 0.66 PTGS2 (0.48) CA2CA1CA9CA12CA6
SCHEMBL48885 0.65 CA2 (0.52) CA2CA1CA9CA12CA6
SCHEMBL202947 0.65 CA2 (0.70) CA2CA1CA9CA12CA6
Ammonia Solution, Strong SCHEMBL28645552 0.65 CA2 (0.55) CA2CA1CA9CA12CA6
SCHEMBL7967712 0.64 CA2 (0.50) CA2CA1CA9CA12CA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1435956-A2 THERAPEUTIC COMBINATIONS FOR CARDIOVASCULAR AND INFLAMMATORY INDICATIONS Pharmacia Corporation (US) 2004-07-14 EP claimed
EP-1416940-A1 COMPOSITIONS FOR THE TREATMENT AND PREVENTION OF PAIN AND INFLAMMATION WITH A CYCLOOXYGENASE-2 SELECTIVE INHIBITOR AND GLUCOSAMINE Pharmacia Corporation (US) 2004-05-12 EP claimed
WO-2003015797-A1 COMPOSITIONS FOR THE TREATMENT AND PREVENTION OF PAIN AND INFLAMMATION WITH A CYCLOOXYGENASE-2 SELECTIVE INHIBITOR AND GLUCOSAMINE PHARMACIA CORPORATION (US) 2003-02-27 WO claimed
WO-2002078626-A2 THERAPEUTIC COMBINATIONS FOR CARDIOVASCULAR AND INFLAMMATORY INDICATIONS PHARMACIA CORPORATION (US) 2002-10-10 WO claimed
WO-1998050075-A1 COX-2 INHIBITORS IN COMBINATION WITH NMDA-BLOCKERS FOR TREATING PAIN ALGOS PHARMACEUTICAL CORPORATION (US) 1998-11-12 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
EP-1691797-A2 COMBINATION OF CYCLOOXYGENASE-2 INHIBITOR AND PHOSPHODIESTERASE 4 INHIBITOR AND METHOD Pharmacia Corporation (US) 2006-08-23 EP disclosed
EP-1569640-A4 COMBINATIONS OF PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR-ALPHA AGONISTS AND CYCLOOXYGENASE-2 SELECTIVE INHIBITORS AND THERAPEUTIC USES THEREFOR PHARMACIA CORP (US) 2006-06-21 EP disclosed
EP-1575594-A2 COMBINATION OF REBOXETINE AND A CYCLOOXYGENASE-2 INHIBITOR Pharmacia Corporation (US) 2005-09-21 EP disclosed
EP-1569640-A2 COMBINATIONS OF PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR-ALPHA AGONISTS AND CYCLOOXYGENASE-2 SELECTIVE INHIBITORS AND THERAPEUTIC USES THEREFOR Pharmacia Corporation (US) 2005-09-07 EP disclosed
WO-2005041864-A2 COMBINATION OF CYCLOOXYGENASE-2 INHIBITOR AND PHOSPHODIESTERASE 4 INHIBITOR AND METHOD PHARMACIA CORPORATION (US) 2005-05-12 WO disclosed
WO-2005037259-A2 METHODS AND COMPOSITIONS FOR THE PREVENTION OR TREATMENT OF NEOPLASIA COMPRISING A COX-2 INHIBITOR IN COMBINATION WITH AN EPIDERMAL GROWTH FACTOR RECEPTOR ANTAGONIST PHARMACIA CORPORATION (US) 2005-04-28 WO disclosed
WO-2004093814-A2 COMPOSITIONS OF A CYCLOOXYGENASE-2 SELECTIVE INHIBITOR AND A SODIUM CHANNEL BLOCKER PHARMACIA CORPORATION (US) 2004-11-04 WO disclosed
EP-1471872-A2 TREATMENT OF COLDS AND COUGH WITH A COMBINATION OF A CYCLOOXYGENASE-2 SELECTIVE INHIBITOR AND A COLDS AND COUGH ACTIVE INGREDIENT AND COMPOSITIONS THEREOF Pharmacia Corporation (US) 2004-11-03 EP disclosed
WO-2004060361-A2 COMBINATION OF REBOXETINE AND A CYCLOOXYGENASE-2 INHIBITOR PHARMACIA CORPORATION (US) 2004-07-22 WO disclosed
WO-2004060366-A1 A METHOD FOR THE TREATMENT, PREVENTION, OR INHIBITION OF A CNS DISORDER AND/OR PAIN AND INFLAMMATION USING A COMBINATION OF DULOXETINE, VENLAFAXINE OR ATOMOXETINE AND A CYCLOOXYGENASE-2 SELECTIVE INHIBITOR AND COMPOSITIONS THEREOF PHARMACIA CORPORATION (US) 2004-07-22 WO disclosed
WO-2004045509-A2 METHOD OF USING A COX-2 INHIBITOR AND A 5-HT1A RECEPTOR MODULATOR AS A COMBINATION THERAPY PHARMACIA CORPORATION (US) 2004-06-03 WO disclosed
WO-2003088958-A2 COMBINATIONS OF COX-2 INHIBITORS AND OTHER AGENTS FOR THE TREATMENT OF PARKINSON’S DISEASE PHARMACIA CORPORATION (US) 2003-10-30 WO disclosed
WO-2003065988-A2 A COMBINATION FOR TREATING COLD AND COUGH PHARMACIA CORPORATION (US) 2003-08-14 WO disclosed
WO-2003059294-A2 COMBINATIONS OF PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR-ALPHA AGONISTS AND CYCLOOXYGENASE-2 SELECTIVE INHIBITORS AND THERAPEUTIC USES THEREFOR PHARMACIA CORPORATION (US) 2003-07-24 WO disclosed