SCHEMBL5089153

SCHEMBL5089153

CS(=O)(=O)c1ccc(-c2oc(C(Cc3ccccc3)C(=O)O)nc2-c2ccc(F)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 17/20 0.55
PTGS1 P23219 4/20 0.55
NR4A2 P43354 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43

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
SCHEMBL7501957 0.90 PTGS2 (0.54) PTGS2PTGS1NR4A2PTGDR2
SCHEMBL216120 0.90 PTGS2 (0.53) PTGS2PTGS1PTGDR2
SCHEMBL9029716 0.88 PTGS2 (0.59) PTGS2PTGS1PTGDR2
SCHEMBL27506688 0.83 PTGS2 (0.49) PTGS2PTGS1PTGDR2
SCHEMBL6002440 0.83 PTGS2 (0.59) PTGS2PTGS1NR4A2
SCHEMBL5732860 0.82 PTGS2 (0.62) PTGS2PTGS1
SCHEMBL5732399 0.82 PTGS2 (0.62) PTGS2PTGS1
SCHEMBL7504823 0.81 PTGS2 (0.53) PTGS2PTGS1PTGDR2
SCHEMBL7503544 0.81 PTGS2 (0.64) PTGS2PTGS1
SCHEMBL7505741 0.78 PTGS2 (0.62) 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 15 patents. 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-0932402-B1 METHOD OF USING CYCLOOXYGENASE-2 INHIBITORS IN THE TREATMENT AND PREVENTION OF NEOPLASIA SEARLE LLC (US) 2004-07-21 EP claimed
EP-0699192-B1 SUBSTITUTED OXAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 2002-07-24 EP claimed
WO-2008008549-A2 COMBINATION OF AN IMMUNOSUPPRESSIVE AGENT AND NONSTEROIDAL ANTI -INFLAMMATORY DRUGS TO TREAT NEOPLASIA BOSTON MEDICAL CENTER CORPORATION (US) 2008-01-17 WO disclosed
US-20070149591-A1 Compositions of a cyclooxygenase-2 selective inhibitor administered under hypothermic conditions for the treatment of ischemic mediated central nervous system disorders or injury STEPHENSON DIANE T 2007-06-28 US disclosed
US-20060135506-A1 Compositions of a cyclooxygenase-2 selective inhibitor and a calcium modulating agent for the treatment of pain, inflammation or inflammation mediated disorders PHARMACIA CORPORATION 2006-06-22 US disclosed
US-20050130971-A1 Compositions of a cyclooxygenase-2 selective inhibitor and phosphodiesterase inhibitor for the treatment of ischemic mediated central nervous system disorders or injury PHARMACIA CORPORATION 2005-06-16 US disclosed
US-20050113376-A1 Compositions of a cyclooxygenase-2 selective inhibitor, a xanthine compound and an alcohol for the treatment of ischemic mediated central nervous system disorders or injury PHARMACIA CORPORATION 2005-05-26 US disclosed
US-20050101597-A1 Compositions of a cyclooxygenase-2 selective inhibitior and a non-NMDA glutamate modulator for the treatment of central nervous system damage PHARMACIA CORPORATION 2005-05-12 US disclosed
US-20050054646-A1 Compositions of a cyclooxygenase-2 selective inhibitor and an antioxidant agent for the treatment of central nervous system disorders PHARMACIA CORPORATION 2005-03-10 US disclosed
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 disclosed
US-20050026919-A1 Compositions of a cyclooxygenase-2 selective inhibitor and a cholinergic agent for the treatment of reduced blood flow or trauma to the central nervous system PHARMACIA CORPORATION 2005-02-03 US disclosed
US-20050009733-A1 Compositions of a cyclooxygenase-2 selective inhibitor and a potassium ion channel modulator for the treatment of central nervous system damage PHARMACIA CORPORATION 2005-01-13 US disclosed
CN-1244122-A Methods of treating and preventing neoplasia using cyclooxygenase-2 inhibitors SEARLE & CO (US) 2000-02-09 CN 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 (9 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-20050054646-A1 Compositions of a cyclooxygenase-2 selective inhibitor and an antioxidant agent for the treatment of central nervous system disorders TXNRD2, PRDX5, PTGS2 PTGS2 3/4885PTGS1 10/4885NR4A2 2585/4885
US-20050009733-A1 Compositions of a cyclooxygenase-2 selective inhibitor and a potassium ion channel modulator for the treatment of central nervous system damage KCNJ2, KCNN2, KCNK2 PTGS2 4/4885PTGS1 30/4885NR4A2 2189/4885
US-20060135506-A1 Compositions of a cyclooxygenase-2 selective inhibitor and a calcium modulating agent for the treatment of pain, inflammation or inflammation mediated disorders PTGS2, PTGES2, PTGS1 PTGS2 1/4885PTGS1 3/4885NR4A2 2205/4885
US-20070149591-A1 Compositions of a cyclooxygenase-2 selective inhibitor administered under hypothermic conditions for the treatment of ischemic mediated central nervous system disorders or injury PTGS2, PTGS1, PTGES2 PTGS2 1/4885PTGS1 2/4885NR4A2 3233/4885
US-20050113376-A1 Compositions of a cyclooxygenase-2 selective inhibitor, a xanthine compound and an alcohol for the treatment of ischemic mediated central nervous system disorders or injury XDH, PTGS2, PTGS1 PTGS2 2/4885PTGS1 3/4885NR4A2 1432/4885
US-20050101597-A1 Compositions of a cyclooxygenase-2 selective inhibitior and a non-NMDA glutamate modulator for the treatment of central nervous system damage GRIN1, GRIN2A, GRIN2B PTGS2 19/4885PTGS1 24/4885NR4A2 1010/4885
US-20050026919-A1 Compositions of a cyclooxygenase-2 selective inhibitor and a cholinergic agent for the treatment of reduced blood flow or trauma to the central nervous system ACHE, PTGER2, PTGS2 PTGS2 3/4885PTGS1 7/4885NR4A2 2053/4885
US-20050130971-A1 Compositions of a cyclooxygenase-2 selective inhibitor and phosphodiesterase inhibitor for the treatment of ischemic mediated central nervous system disorders or injury PDE2A, PDE3B, PDE3A PTGS2 8/4885PTGS1 16/4885NR4A2 3766/4885
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 2/4885NR4A2 3657/4885

“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.