SCHEMBL212919

SCHEMBL212919

Cc1ccc(-c2cc(-c3ccc(C)cc3)n(-c3ccc(S(N)(=O)=O)cc3)n2)cc1

nearest known ligand 0.90

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.90
PTGS2 P35354 16/20 0.72
PTGS1 P23219 3/20 0.71
CA9 Q16790 3/20 0.71
PDPK1 O15530 2/20 0.71
CA1 P00915 2/20 0.71
CA2 P00918 2/20 0.71
PTGES O14684 1/20 0.71
HDAC3 O15379 1/20 0.71
CA12 O43570 1/20 0.71
PDE5A O76074 1/20 0.71
ABCB11 O95342 1/20 0.71
MT-CO2 P00403 1/20 0.71
LMNA P02545 1/20 0.71
CA3 P07451 1/20 0.71
CYP3A4 P08684 1/20 0.71
ALOX5 P09917 1/20 0.71
ADORA3 P0DMS8 1/20 0.71
CYP2D6 P10635 1/20 0.71
ADRB3 P13945 1/20 0.71

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
SCHEMBL8121503 0.94 PTGS2 (0.83) CYP2C9PTGS2PTGS1CA9PDPK1
SCHEMBL18180817 0.94 CYP2C9 (0.80) CYP2C9PTGS2PTGS1CA9PDPK1
SCHEMBL212983 0.94 PTGS2 (0.83) CYP2C9PTGS2PTGS1CA9PDPK1
SCHEMBL2602400 0.88 PTGS2 (0.80) CYP2C9PTGS2PTGS1CA9PDPK1
SCHEMBL8420247 0.88 CYP2C9 (0.71) CYP2C9PTGS2PTGS1CA9PDPK1
SCHEMBL8125344 0.88 CYP2C9 (0.71) CYP2C9PTGS2PTGS1
SCHEMBL20042404 0.87 CYP2C9 (0.78) CYP2C9PTGS2PTGS1CA9PDPK1
SCHEMBL6452272 0.87 PTGS2 (0.92) CYP2C9PTGS2PTGS1CA9CA1
SCHEMBL18180816 0.87 CYP2C9 (0.77) CYP2C9PTGS2PTGS1CA9PDPK1
SCHEMBL5698697 0.86 PTGS2 (0.88) CYP2C9PTGS2PTGS1PDPK1

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 313 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
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-1416940-A1 COMPOSITIONS FOR THE TREATMENT AND PREVENTION OF PAIN AND INFLAMMATION WITH A CYCLOOXYGENASE-2 SELECTIVE INHIBITOR AND GLUCOSAMINE Pharmacia Corporation (US) 2004-05-12 EP 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-2003015797-A1 COMPOSITIONS FOR THE TREATMENT AND PREVENTION OF PAIN AND INFLAMMATION WITH A CYCLOOXYGENASE-2 SELECTIVE INHIBITOR AND GLUCOSAMINE PHARMACIA CORPORATION (US) 2003-02-27 WO claimed
WO-2003015799-A1 COMPOSITIONS FOR THE TREATMENT AND PREVENTION OF PAIN AND INFLAMMATION WITH A CYCLOOXYGENASE-2 SELECTIVE INHIBITOR AND CHONDROITIN SULFATE PHARMACIA CORPORATION (US) 2003-02-27 WO claimed
CN-1398189-A Combination therapy of radiation and COX-2 inhibitor for treatment of neoplasia SEARLE & CO (US) 2003-02-19 CN 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
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-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-1996041625-A1 COMPOSITIONS COMPRISING A CYCLOOXYGENASE-2 INHIBITOR AND A LEUKOTRIENE A4 HYDROLASE INHIBITOR 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 CYP2C9 447/4885PTGS2 4/4885PTGS1 8/4885
US-20010047024-A1 Method of using cyclooxygenase-2 inhibitors in the treatment and prevention of neoplasia PTGS2, PTGES2, PTGS1 CYP2C9 755/4885PTGS2 1/4885PTGS1 3/4885
US-20040097573-A1 Use of a COX-2 inhibitor and a NK-1 receptor antagonist for treating inflammation PTGS1, PTGS2, PTGES2 CYP2C9 981/4885PTGS2 2/4885PTGS1 1/4885
US-20020035156-A1 Combination therapy in the prevention of cardiovascular disorders FABP3, TNNT2, TNNI3 CYP2C9 1444/4885PTGS2 6/4885PTGS1 20/4885
US-20040138296-A1 Amyloid immunization and Cox-2 inhibitors for the treatment of alzheimer's disease APP, BACE2, PTGS2 CYP2C9 2425/4885PTGS2 3/4885PTGS1 9/4885
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 CYP2C9 733/4885PTGS2 1/4885PTGS1 2/4885

“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.