SCHEMBL5983421

SCHEMBL5983421

CC(O)c1onc(-c2ccccc2)c1-c1ccc(S(N)(=O)=O)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 14/20 0.68
CA2 P00918 7/20 0.68
CA9 Q16790 7/20 0.68
CA12 O43570 6/20 0.68
CA1 P00915 6/20 0.68
MT-CO2 P00403 3/20 0.68
PTGS1 P23219 2/20 0.68
LMNA P02545 1/20 0.68
CA3 P07451 1/20 0.68
ADRB2 P07550 1/20 0.68
ADRB1 P08588 1/20 0.68
CYP3A4 P08684 1/20 0.68
ADORA3 P0DMS8 1/20 0.68
CHRM1 P11229 1/20 0.68
ADRA2B P18089 1/20 0.68
CA4 P22748 1/20 0.68
CA6 P23280 1/20 0.68
SLC6A2 P23975 1/20 0.68
PDE4A P27815 1/20 0.68
ADORA1 P30542 1/20 0.68

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
SCHEMBL4891512 0.91 PTGS2 (0.70) PTGS2CA2CA9CA12CA1
SCHEMBL4884123 0.89 PTGS2 (0.64) PTGS2CA2CA9CA12CA1
SCHEMBL4809281 0.89 PTGS2 (0.70) PTGS2CA2CA9CA12CA1
SCHEMBL6169802 0.87 PTGS2 (0.61) PTGS2CA2CA9CA12CA1
Valdecoxib SCHEMBL5998054 0.86 PTGS2 (0.88) PTGS2CA2CA9CA12CA1
SCHEMBL214781 0.86 PTGS2 (0.66) PTGS2CA2CA9CA12CA1
SCHEMBL6169656 0.85 PTGS2 (0.59) PTGS2CA2CA9CA12CA1
SCHEMBL8474584 0.85 PTGS2 (0.59) PTGS2CA2CA9CA12CA1
SCHEMBL6169647 0.83 PTGS2 (0.60) PTGS2CA2CA9CA12CA1
SCHEMBL8475026 0.83 PTGS2 (0.60) PTGS2CA2CA9CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20050043355-A1 Immunosuppressive effects of administration of a cyclooxygenase-2 inhibitor and a leukotriene A4 hydrolase inhibitor PHARMACIA CORPORATION 2005-02-24 US claimed
US-20040106668-A1 Immunosuppressive effects of administration of a cyclooxygenase-2 inhibitor, a leukotriene B4 receptor inhibitor and a cyclosporin PHARMACIA CORPORATION 2004-06-03 US claimed
US-6617345-B1 Cyclooxygenase-2 inhibitor is (5-bromo-2-(4-fluorophenyl )-3-(4-(methylsulfonyl)phey)-thiophene), N-(2-(cyclohexyloxy 4-nitrophenyl)-methanesulfonamide), meloxicam, flosulide or cyclic substituted phenyl sulfones or sulfonamides G.D. SEARLE & CO. 2003-09-09 US claimed
US-20030004191-A1 Immunosuppressive effects of administration of a cyclooxygenase-2 inhibitor and a leukotriene A4 hydrolase inhibitor PHARMACIA CORPORATION 2003-01-02 US claimed
US-20020143033-A1 Immunosuppresive effects of administration of a cyclooxygenase-2 inhibitor and a 5-lipoxygenase inhibitor G.D. SEARLE & CO. 2002-10-03 US claimed
EP-0880363-B1 COMBINATIONS, HAVING IMMUNOSUPPRESSIVE EFFECTS, CONTAINING A CYCLOOXYGENASE-2 INHIBITOR AND A LEUKOTRIENE A 4 HYDROLASE INHIBITOR SEARLE & CO (US) 2002-09-11 EP claimed
US-20020107276-A1 Treatment of inflammation and inflammation-related disorders with a combination of a cyclooxygenase-2 inhibitor and a leukotriene B4 receptor antagonist PHARMACIA CORPORATION 2002-08-08 US claimed
US-6376528-B1 SYNERGISTIC MIXTURE G. D. SEARLE & CO. 2002-04-23 US claimed
US-6342510-B1 ANTIINFLAMMATORY AGENTS AND ENZYME INHIBITORS G. D. SEARLE & CO. 2002-01-29 US claimed
EP-0888127-B1 COMBINATIONS HAVING IMMUNOSUPPRESSIVE EFFECTS, CONTAINING CYCLOOXYGENASE-2-INHIBITORS AND 5-LIPOXYGENASE INHIBITORS SEARLE & CO (US) 2001-12-12 EP 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-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
US-7141599-B2 Immunosuppressive effects of administration of a cyclooxygenase-2 inhibitor, a leukotriene B4 receptor inhibitor and a cyclosporin PHARMACIA CORPORATION (US) 2006-11-28 US disclosed
EP-1027048-A2 SELECTIVE CYCLOOXYGENASE-2 INHIBITORS AGAINST PREMATURE LABOR G.D. SEARLE & CO. (US) 2000-08-16 EP disclosed
WO-1999022720-A2 SELECTIVE CYCLOOXYGENASE-2 INHIBITORS AGAINST PREMATURE LABOR G.D. SEARLE & CO. (US) 1999-05-14 WO disclosed

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

For each of this compound's patents that has machine-readable text (5 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-20020107276-A1 Treatment of inflammation and inflammation-related disorders with a combination of a cyclooxygenase-2 inhibitor and a leukotriene B4 receptor antagonist LTB4R2, LTB4R, CYSLTR2 PTGS2 13/4885CA2 3499/4885CA9 4420/4885
US-20040106668-A1 Immunosuppressive effects of administration of a cyclooxygenase-2 inhibitor, a leukotriene B4 receptor inhibitor and a cyclosporin LTB4R2, LTB4R, CYSLTR2 PTGS2 9/4885CA2 1832/4885CA9 4229/4885
US-20050043355-A1 Immunosuppressive effects of administration of a cyclooxygenase-2 inhibitor and a leukotriene A4 hydrolase inhibitor LTA4H, LTB4R2, LTB4R PTGS2 9/4885CA2 2320/4885CA9 3321/4885
US-20030004191-A1 Immunosuppressive effects of administration of a cyclooxygenase-2 inhibitor and a leukotriene A4 hydrolase inhibitor LTA4H, LTB4R2, LTC4S PTGS2 9/4885CA2 2299/4885CA9 3447/4885
US-20020143033-A1 Immunosuppresive effects of administration of a cyclooxygenase-2 inhibitor and a 5-lipoxygenase inhibitor ALOX5, ALOX15B, ALOX15 PTGS2 6/4885CA2 3209/4885CA9 4115/4885

“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.