SCHEMBL212638

SCHEMBL212638

CS(=O)(=O)c1ccc(-c2c(-c3ccccc3)noc2C(F)F)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 17/20 0.66
MT-CO2 P00403 3/20 0.52
PTGS1 P23219 2/20 0.52
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
LMNA P02545 1/20 0.52
CA3 P07451 1/20 0.52
ADRB2 P07550 1/20 0.52
ADRB1 P08588 1/20 0.52
CYP3A4 P08684 1/20 0.52
ADORA3 P0DMS8 1/20 0.52
CHRM1 P11229 1/20 0.52
ADRA2B P18089 1/20 0.52
CA4 P22748 1/20 0.52
CA6 P23280 1/20 0.52
SLC6A2 P23975 1/20 0.52
PDE4A P27815 1/20 0.52
ADORA1 P30542 1/20 0.52
CA5A P35218 1/20 0.52

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
SCHEMBL24334884 1.00 PTGS2 (0.66) PTGS2MT-CO2PTGS1CA12CA1
SCHEMBL4619886 0.91 PTGS2 (0.59) PTGS2PTGS1
SCHEMBL214781 0.87 PTGS2 (0.66) PTGS2MT-CO2PTGS1CA12CA1
Sulfamide SCHEMBL4638569 0.85 PTGS2 (0.51) PTGS2MT-CO2PTGS1CA12CA1
SCHEMBL7184773 0.82 PTGS2 (0.47) PTGS2MT-CO2PTGS1CA12CA1
SCHEMBL6723710 0.82 PTGS2 (0.45) PTGS2MT-CO2PTGS1CA12CA1
SCHEMBL8814642 0.82 PTGS2 (0.46) PTGS2MT-CO2PTGS1CA12CA1
SCHEMBL6729683 0.81 PTGS2 (0.44) PTGS2MT-CO2PTGS1CA12CA1
SCHEMBL14267653 0.81 PTGS2 (0.77) PTGS2MT-CO2PTGS1CA12CA1
SCHEMBL5703656 0.81 PTGS2 (0.77) PTGS2MT-CO2PTGS1CA12CA1

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 383 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-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-0833622-B1 COMPOSITIONS COMPRISING A CYCLOOXYGENASE-2 INHIBITOR AND A 5-LIPOXYGENASE INHIBITOR SEARLE & CO (US) 2005-08-10 EP 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-1528059-A2 Substituted isoxazoles for the treatment of inflammation G.D. Searle LLC (US) 2005-05-04 EP claimed
EP-0941080-A2 METHOD OF USING CYCLOOXYGENASE-2 INHIBITORS AS ANTI-ANGIOGENIC AGENTS G.D. SEARLE & CO. (US) 1999-09-15 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-0809636-A1 SUBSTITUTED ISOXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-12-03 EP 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-1996025405-A1 SUBSTITUTED ISOXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-08-22 WO claimed