SCHEMBL213239

SCHEMBL213239

COc1ccc(-c2oc(C(F)(F)F)nc2-c2ccc(S(N)(=O)=O)cc2)cc1F

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 19/20 0.56
PTGS1 P23219 16/20 0.56
CDK2 P24941 1/20 0.47
ABCB11 O95342 1/20 0.46
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL8147501 0.96 PTGS2 (0.57) PTGS2PTGS1CDK2ABCB11ALDH1A1
SCHEMBL8153075 0.90 PTGS2 (0.55) PTGS2PTGS1
Sulfamide SCHEMBL4639002 0.89 PTGS2 (0.46) PTGS2PTGS1
SCHEMBL8550236 0.88 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL8145237 0.87 PTGS2 (0.51) PTGS2PTGS1
SCHEMBL8148251 0.86 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL8138588 0.86 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL8153086 0.85 PTGS2 (0.48) PTGS2PTGS1
SCHEMBL8140595 0.84 MIF (0.43) PTGS2PTGS1ALDH1A1
SCHEMBL8549805 0.84 PTGS2 (0.56) 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 400 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
US-20070072861-A1 Method of using cyclooxygenase-2 inhibitors in the prevention of cardiovascular disorders RONIKER BARBARA 2007-03-29 US claimed
US-7132441-B2 Immunosuppressive effects of administration of a cyclooxygenase-2 inhibitor and a 5-lipoxygenase inhibitor G.D. SEARLE & CO. (US) 2006-11-07 US 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-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
EP-0825989-A1 SUBSTITUTED OXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1998-03-04 EP claimed
WO-1997029775-A1 COMPOSITIONS COMPRISING A CYCLOOXYGENASE-2 INHIBITOR AND A LEUKOTRIENE B4 RECEPTOR ANTAGONIST G.D. SEARLE & CO. (US) 1997-08-21 WO claimed
WO-1997029776-A1 COMBINATIONS HAVING IMMUNOSUPPRESSIVE EFFECTS, CONTAINING CYCLOOXYGENASE-2-INHIBITORS AND 5-LIPOXYGENASE INHIBITORS G.D. SEARLE & CO. (US) 1997-08-21 WO claimed
WO-1997029774-A1 COMBINATIONS, HAVING IMMUNOSUPPRESSIVE EFFECTS, CONTAINING A CYCLOOXYGENASE-2 INHIBITOR AND A LEUKOTRIENE A4 HYDROLASE INHIBITOR G.D. SEARLE & CO. (US) 1997-08-21 WO 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-1996036617-A1 SUBSTITUTED OXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-11-21 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 (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-20070072861-A1 Method of using cyclooxygenase-2 inhibitors in the prevention of cardiovascular disorders PTGS2, PTGES2, PTGIS PTGS2 1/4885PTGS1 4/4885CDK2 779/4885

“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.