SCHEMBL5709012

SCHEMBL5709012

O=C(O)C1=Cc2cc(C(F)(F)F)ccc2OC1C(F)(F)F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 1.00
PTGS1 P23219 10/20 1.00

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
SCHEMBL6093607 1.00 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL5644615 0.89 PTGS2 (0.81) PTGS2PTGS1
SCHEMBL6092485 0.89 PTGS2 (0.80) PTGS2PTGS1
SCHEMBL6092931 0.89 PTGS2 (0.80) PTGS2PTGS1
SCHEMBL5646530 0.89 PTGS2 (0.80) PTGS2PTGS1
SCHEMBL6092935 0.89 PTGS2 (0.80) PTGS2PTGS1
SCHEMBL6092693 0.89 PTGS2 (0.80) PTGS2PTGS1
SCHEMBL6092110 0.89 PTGS2 (0.80) PTGS2PTGS1
SCHEMBL6095307 0.89 PTGS2 (0.80) PTGS2PTGS1
SCHEMBL28023917 0.88 PTGS2 (0.78) 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 56 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1725222-A2 METHODS AND COMPOSITIONS FOR TREATING OR PREVENTING PSYCHIATRIC DISORDERS WITH COX-2 INHIBITORS ALONE AND IN COMBINATION WITH ANTIDEPRESSANT AGENTS Pharmacia Corporation (US) 2006-11-29 EP claimed
EP-1691797-A2 COMBINATION OF CYCLOOXYGENASE-2 INHIBITOR AND PHOSPHODIESTERASE 4 INHIBITOR AND METHOD Pharmacia Corporation (US) 2006-08-23 EP claimed
WO-2005084654-A2 METHODS AND COMPOSITIONS FOR TREATING OR PREVENTING PSYCHIATRIC DISORDERS WITH COX-2 INHIBITORS ALONE AND IN COMBINATION WITH ANTIDEPRESSANT AGENTS PHARMACIA CORPORATION (US) 2005-09-15 WO claimed
WO-2005049014-A1 COX-2 INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES-RELATED OCULAR DISORDERS PHARMACIA CORPORATION (US) 2005-06-02 WO claimed
US-20050107349-A1 Method for the treatment or prevention of respiratory disorders with a cyclooxygenase-2 inhibitor in combination with a muscarinic receptor antagonist and compositions therewith PHARMACIA CORPORATION (US) 2005-05-19 US claimed
US-20050107350-A1 Method for the treatment or prevention of bone disorders with a cyclooxygenase-2 inhibitor alone and in combination with a bone disorder treatment agent and compositions therewith PHARMACIA CORPORATION (US) 2005-05-19 US claimed
WO-2005041864-A2 COMBINATION OF CYCLOOXYGENASE-2 INHIBITOR AND PHOSPHODIESTERASE 4 INHIBITOR AND METHOD PHARMACIA CORPORATION (US) 2005-05-12 WO claimed
US-20050049252-A1 Substituted benzopyran derivatives for the treatment of inflammation G.D. SEARLE & CO. (US) 2005-03-03 US claimed
US-20040127539-A1 Antiangiogenic combination therapy for the treatment of cancer PHARMACIA CORPORATION 2004-07-01 US claimed
EP-1414526-A2 ANTIANGIOGENIC COMBINATION THERAPY FOR THE TREATMENT OF CANCER Pharmacia Corporation (US) 2004-05-06 EP claimed
EP-0977748-B1 SUBSTITUTED BENZOPYRAN DERIVATIVES FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 2003-03-26 EP claimed
WO-2002085459-A2 ANTIANGIOGENIC COMBINATION THERAPY FOR THE TREATMENT OF CANCER PHARMACIA CORPORATION (US) 2002-10-31 WO claimed
US-20020103141-A1 Antiangiogenic combination therapy for the treatment of cancer PHARMACIA CORPORATION 2002-08-01 US claimed
US-6034256-A CYCLOOXYGEASE INHIBITOR G.D. SEARLE & CO. (US) 2000-03-07 US claimed
US-7138411-B2 Substituted benzopyran derivatives for the treatment of inflammation G.D. SEARLE & CO. (US) 2006-11-21 US disclosed
US-7109211-B2 Substituted benzopyran derivatives for the treatment of inflammation PHARMACIA CORPORATION (OF PFIZER, INC.) (US) 2006-09-19 US disclosed
EP-1611095-A2 A METHOD OF PROVIDING A STEROID-SPARING BENEFIT WITH A CYCLOOXYGENASE-2 INHIBITOR AND COMPOSITIONS THEREWITH Pharmacia Corporation (US) 2006-01-04 EP disclosed
CN-1257489-A Substituted benzopyran derivatives for the treatment of inflammation SEARLE & CO (US) 2000-06-21 CN disclosed
US-6077850-A USEFUL FOR TREATING CYCLOOXYGENASE-2 MEDIATED DISORDERS, SUCH AS INFLAMMATION AND INFLAMMATION-RELATED DISORDERS G.D. SEARLE & CO. (US) 2000-06-20 US disclosed
US-6034256-A CYCLOOXYGEASE INHIBITOR G.D. SEARLE & CO. (US) 2000-03-07 US 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-20050107349-A1 Method for the treatment or prevention of respiratory disorders with a cyclooxygenase-2 inhibitor in combination with a muscarinic receptor antagonist and compositions therewith CHRM3, CYSLTR2, CHRM2 PTGS2 5/4885PTGS1 15/4885
US-20050049252-A1 Substituted benzopyran derivatives for the treatment of inflammation PTGES2, PTGS2, PTGER2 PTGS2 2/4885PTGS1 4/4885
US-20020103141-A1 Antiangiogenic combination therapy for the treatment of cancer TOP2A, TOP2B, TOP1 PTGS2 4/4885PTGS1 6/4885
US-20050107350-A1 Method for the treatment or prevention of bone disorders with a cyclooxygenase-2 inhibitor alone and in combination with a bone disorder treatment agent and compositions therewith PTGS2, PTGES2, PTGS1 PTGS2 1/4885PTGS1 3/4885
US-20040127539-A1 Antiangiogenic combination therapy for the treatment of cancer TOP2A, TOP2B, TOP1 PTGS2 4/4885PTGS1 6/4885

“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.