SCHEMBL216745

SCHEMBL216745

COc1ccc(-c2cc(-c3ccc(OC)cc3)n(-c3ccc(S(N)(=O)=O)cc3)n2)cc1

nearest known ligand 0.89

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 17/20 0.89
PTGS1 P23219 4/20 0.89
CA1 P00915 1/20 0.71
CA2 P00918 1/20 0.71
CA9 Q16790 1/20 0.71
CYP2C9 P11712 1/20 0.69
CHRNA7 P36544 1/20 0.67

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
SCHEMBL18826381 0.95 PTGS2 (0.82) PTGS2PTGS1CA1CA2CA9
SCHEMBL8113323 0.94 PTGS2 (1.00) PTGS2PTGS1CA1CA2CA9
SCHEMBL20044911 0.94 PTGS2 (0.80) PTGS2PTGS1CA1CA2CA9
SCHEMBL213881 0.94 PTGS2 (1.00) PTGS2PTGS1CA1CA2CA9
SCHEMBL6452272 0.90 PTGS2 (0.92) PTGS2PTGS1CA1CA2CA9
SCHEMBL8421888 0.89 PTGS2 (0.71) PTGS2PTGS1CA1CA2CA9
SCHEMBL18180789 0.88 PTGS2 (0.71) PTGS2PTGS1CA1CA2CA9
SCHEMBL6746827 0.88 PTGS2 (0.70) PTGS2PTGS1CA1CA2CA9
SCHEMBL20044910 0.88 PTGS2 (0.70) PTGS2PTGS1CA1CA2CA9
SCHEMBL29355263 0.88 PTGS2 (0.73) PTGS2PTGS1CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0843549-B1 COMPOSITIONS COMPRISING A CYCLOOXYGENASE-2 INHIBITOR AND A LEUKOTRIENE A 4 HYDROLASE INHIBITOR SEARLE & CO (US) 2006-04-12 EP claimed
EP-0833622-B1 COMPOSITIONS COMPRISING A CYCLOOXYGENASE-2 INHIBITOR AND A 5-LIPOXYGENASE INHIBITOR SEARLE & CO (US) 2005-08-10 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-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
US-20050026902-A1 Methods and compositions for the treatment or prevention of human immunodeficiency virus and related conditions using cyclooxygenase-2 selective inhibitors and antiviral agents PHARMACIA CORPORATION 2005-02-03 US claimed
EP-0932402-B1 METHOD OF USING CYCLOOXYGENASE-2 INHIBITORS IN THE TREATMENT AND PREVENTION OF NEOPLASIA SEARLE LLC (US) 2004-07-21 EP claimed
US-20040138296-A1 Amyloid immunization and Cox-2 inhibitors for the treatment of alzheimer's disease PHARMACIA CORPORATION 2004-07-15 US claimed
EP-1435956-A2 THERAPEUTIC COMBINATIONS FOR CARDIOVASCULAR AND INFLAMMATORY INDICATIONS Pharmacia Corporation (US) 2004-07-14 EP claimed
US-20040097573-A1 Use of a COX-2 inhibitor and a NK-1 receptor antagonist for treating inflammation BOYCE SUSAN (GB) 2004-05-20 US claimed
EP-1416941-A1 COMPOSITIONS FOR THE TREATMENT AND PREVENTION OF PAIN AND INFLAMMATION WITH A CYCLOOXYGENASE-2 SELECTIVE INHIBITOR AND CHONDROITIN SULFATE Pharmacia Corporation (US) 2004-05-12 EP claimed
WO-2002096516-A1 USE OF COMPOSITIONS COMPRISING CYCLOOXYGENASE-2 SELECTIVE INHIBITORS IN COMBINATION WITH RADIATION FOR INHIBITION OR PREVENTION OF CARDIOVASCULAR DISEASE PHARMACIA CORPORATION (US) 2002-12-05 WO claimed
US-6469040-B2 ADMINISTERING 1-(P-AMINOSULFONYL)PHENYL-3-HALOALKYL-5-PHENYLPYRAZOLES G.D. SEARLE & CO. 2002-10-22 US claimed
WO-2002078626-A2 THERAPEUTIC COMBINATIONS FOR CARDIOVASCULAR AND INFLAMMATORY INDICATIONS PHARMACIA CORPORATION (US) 2002-10-10 WO claimed
US-20020077328-A1 Selective cyclooxygenase-2 inhibitors and vasomodulator compounds for generalized pain and headache pain PHARMACIA CORPORATION 2002-06-20 US claimed
US-20020035156-A1 Combination therapy in the prevention of cardiovascular disorders RONIKER BARBARA (US) 2002-03-21 US claimed
US-20010047024-A1 Method of using cyclooxygenase-2 inhibitors in the treatment and prevention of neoplasia G.D. SEARLE & CO. 2001-11-29 US claimed
EP-1079863-A1 USE OF A COX-2 INHIBITOR AND A NK-1 RECEPTOR ANTAGONIST FOR TREATING INFLAMMATION MERCK SHARP & DOHME LTD. (GB) 2001-03-07 EP claimed
WO-1999059635-A1 USE OF A COX-2 INHIBITOR AND A NK-1 RECEPTOR ANTAGONIST FOR TREATING INFLAMMATION MERCK SHARP & DOHME LIMITED (GB) 1999-11-25 WO 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
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

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

For each of this compound's patents that has machine-readable text (6 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-20020077328-A1 Selective cyclooxygenase-2 inhibitors and vasomodulator compounds for generalized pain and headache pain PTGIR, VASP, TRPV2 PTGS2 4/4885PTGS1 8/4885CA1 1973/4885
US-20010047024-A1 Method of using cyclooxygenase-2 inhibitors in the treatment and prevention of neoplasia PTGS2, PTGES2, PTGS1 PTGS2 1/4885PTGS1 3/4885CA1 438/4885
US-20040097573-A1 Use of a COX-2 inhibitor and a NK-1 receptor antagonist for treating inflammation PTGS1, PTGS2, PTGES2 PTGS2 2/4885PTGS1 1/4885CA1 1977/4885
US-20020035156-A1 Combination therapy in the prevention of cardiovascular disorders FABP3, TNNT2, TNNI3 PTGS2 6/4885PTGS1 20/4885CA1 3623/4885
US-20040138296-A1 Amyloid immunization and Cox-2 inhibitors for the treatment of alzheimer's disease APP, BACE2, PTGS2 PTGS2 3/4885PTGS1 9/4885CA1 136/4885
US-20050026902-A1 Methods and compositions for the treatment or prevention of human immunodeficiency virus and related conditions using cyclooxygenase-2 selective inhibitors and antiviral agents PTGS2, PTGS1, PTGES2 PTGS2 1/4885PTGS1 2/4885CA1 1444/4885

“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.