SCHEMBL213986

SCHEMBL213986

Cc1nc(-c2ccccc2)c(-c2ccc(S(N)(=O)=O)cc2)o1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 14/20 0.78
PTGS1 P23219 9/20 0.78
KMT2A Q03164 1/20 0.63
MAPK13 O15264 1/20 0.60
MAPK12 P53778 1/20 0.60
MAPK11 Q15759 1/20 0.60
MAPK14 Q16539 1/20 0.60
CA1 P00915 5/20 0.57
CA2 P00918 5/20 0.57
CA12 O43570 3/20 0.57
CA9 Q16790 3/20 0.57
MT-CO2 P00403 1/20 0.56
LMNA P02545 1/20 0.56
CA3 P07451 1/20 0.56
ADRB2 P07550 1/20 0.56
ADRB1 P08588 1/20 0.56
CYP3A4 P08684 1/20 0.56
ADORA3 P0DMS8 1/20 0.56
CHRM1 P11229 1/20 0.56
ADRA2B P18089 1/20 0.56

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
SCHEMBL8551037 1.00 PTGS2 (0.78) PTGS2PTGS1KMT2AMAPK13MAPK12
SCHEMBL7505993 0.94 PTGS2 (0.86) PTGS2PTGS1KMT2AMAPK13MAPK12
SCHEMBL8140711 0.87 PTGS2 (0.76) PTGS2PTGS1KMT2ACA1CA2
SCHEMBL7504621 0.87 PTGS2 (0.76) PTGS2PTGS1KMT2ACA1CA2
SCHEMBL7500813 0.87 PTGS2 (1.00) PTGS2PTGS1KMT2AMAOAMAOB
SCHEMBL7799127 0.87 PTGS2 (0.76) PTGS2PTGS1KMT2AMAPK13MAPK12
SCHEMBL7505580 0.87 PTGS2 (1.00) PTGS2PTGS1KMT2AMAOAMAOB
SCHEMBL8552366 0.87 PTGS2 (0.76) PTGS2PTGS1KMT2ACA1CA2
SCHEMBL8552519 0.87 PTGS2 (0.76) PTGS2PTGS1KMT2ACA1CA2
SCHEMBL8550008 0.84 PTGS2 (0.75) PTGS2PTGS1KMT2ACA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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-0880362-B1 COMPOSITIONS COMPRISING A CYCLOOXYGENASE-2 INHIBITOR AND A LEUKOTRIENE B 4 RECEPTOR ANTAGONIST SEARLE & CO (US) 2005-05-25 EP claimed
US-20050075359-A1 Large conductance calcium-activated K channel opener TANABE SEIYAKU CO., LTD. (JP) 2005-04-07 US 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-1999022720-A2 SELECTIVE CYCLOOXYGENASE-2 INHIBITORS AGAINST PREMATURE LABOR G.D. SEARLE & CO. (US) 1999-05-14 WO claimed
EP-0888127-A1 COMBINATIONS HAVING IMMUNOSUPPRESSIVE EFFECTS, CONTAINING CYCLOOXYGENASE-2-INHIBITORS AND 5-LIPOXYGENASE INHIBITORS G.D. SEARLE & CO. (US) 1999-01-07 EP claimed
EP-0880362-A1 COMPOSITIONS COMPRISING A CYCLOOXYGENASE-2 INHIBITOR AND A LEUKOTRIENE B 4 RECEPTOR ANTAGONIST G.D. SEARLE & CO. (US) 1998-12-02 EP claimed
EP-0880363-A1 COMBINATIONS, HAVING IMMUNOSUPPRESSIVE EFFECTS, CONTAINING A CYCLOOXYGENASE-2 INHIBITOR AND A LEUKOTRIENE A 4? HYDROLASE INHIBITOR G.D. SEARLE & CO. (US) 1998-12-02 EP claimed
WO-1998016227-A9 METHOD OF USING CYCLOOXYGENASE-2 INHIBITORS IN THE TREATMENT AND PREVENTION OF NEOPLASIA 1998-07-30 WO 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
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-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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 4/4885KMT2A 2822/4885
US-20050075359-A1 Large conductance calcium-activated K channel opener KCNN3, KCNN2, KCNN1 PTGS2 806/4885PTGS1 760/4885KMT2A 1868/4885

“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.