SCHEMBL6092049

SCHEMBL6092049

CCOC(=O)C1=Cc2ccc(C(C)(C)C)cc2OC1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 19/20 0.47
PTGS1 P23219 13/20 0.47
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44

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
SCHEMBL6094518 0.91 NFKB1 (0.43) PTGS2PTGS1NFKB1NFKB2RELA
SCHEMBL5645071 0.91 PTGS2 (0.46) PTGS2PTGS1NFKB1NFKB2RELA
SCHEMBL5645779 0.90 PTGS2 (0.45) PTGS2PTGS1NFKB1NFKB2RELA
SCHEMBL5646666 0.90 PTGS2 (0.47) PTGS2PTGS1NFKB1NFKB2RELA
SCHEMBL5642966 0.90 PTGS2 (0.45) PTGS2PTGS1NFKB1NFKB2RELA
SCHEMBL5645829 0.89 PTGS2 (0.44) PTGS2PTGS1NFKB1NFKB2RELA
SCHEMBL5643925 0.88 PTGS2 (0.46) PTGS2PTGS1NFKB1NFKB2RELA
SCHEMBL5647897 0.88 PTGS2 (0.43) PTGS2PTGS1NFKB1NFKB2RELA
SCHEMBL5645364 0.87 PTGS2 (0.56) PTGS2PTGS1NFKB1NFKB2RELA
SCHEMBL5169993 0.86 PTGS2 (0.48) 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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20050049252-A1 Substituted benzopyran derivatives for the treatment of inflammation G.D. SEARLE & CO. (US) 2005-03-03 US disclosed
US-6806288-B1 CYCLOOXYGENASE-2 MEDIATED DISORDERS; REDUCES INFLAMMATION; FEWER SIDE EFFECTS G.D. SEARLE & CO. 2004-10-19 US disclosed
US-20040127539-A1 Antiangiogenic combination therapy for the treatment of cancer PHARMACIA CORPORATION 2004-07-01 US disclosed
EP-1414526-A2 ANTIANGIOGENIC COMBINATION THERAPY FOR THE TREATMENT OF CANCER Pharmacia Corporation (US) 2004-05-06 EP disclosed
US-20040038977-A1 Substituted bezopyran derivatives for the treatment of inflammation G.D. SEARLE & CO. 2004-02-26 US disclosed
EP-0977748-B1 SUBSTITUTED BENZOPYRAN DERIVATIVES FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 2003-03-26 EP disclosed
US-6492390-B2 TREATING CYCLOOXYGENASE-2 MEDIATED DISORDERS. G.D. SEARLE & CO. 2002-12-10 US disclosed
WO-2002085459-A2 ANTIANGIOGENIC COMBINATION THERAPY FOR THE TREATMENT OF CANCER PHARMACIA CORPORATION (US) 2002-10-31 WO disclosed
US-20020103141-A1 Antiangiogenic combination therapy for the treatment of cancer PHARMACIA CORPORATION 2002-08-01 US disclosed
US-20020010206-A1 Substituted benzopyran analogs for the treatment of inflammation G.D. SEARLE & CO. (US) 2002-01-24 US disclosed
EP-1123285-A1 SUBSTITUTED BENZOPYRAN ANALOGS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 2001-08-16 EP disclosed
US-6271253-B1 CYCLOOXYGENASE INHIBITORS G.D. SEARLE & CO. 2001-08-07 US 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
WO-2000023433-A1 SUBSTITUTED BENZOPYRAN ANALOGS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 2000-04-27 WO disclosed
US-6034256-A CYCLOOXYGEASE INHIBITOR G.D. SEARLE & CO. (US) 2000-03-07 US disclosed
EP-0977748-A1 SUBSTITUTED BENZOPYRAN DERIVATIVES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 2000-02-09 EP disclosed
WO-1998047890-A1 SUBSTITUTED BENZOPYRAN DERIVATIVES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1998-10-29 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-20020010206-A1 Substituted benzopyran analogs for the treatment of inflammation PTGS1, IL1R1, PTGES2 PTGS2 5/4885PTGS1 1/4885NFKB1 342/4885
US-20040038977-A1 Substituted bezopyran derivatives for the treatment of inflammation PTGS1, PTGES2, IL1R1 PTGS2 4/4885PTGS1 1/4885NFKB1 518/4885
US-20050049252-A1 Substituted benzopyran derivatives for the treatment of inflammation PTGES2, PTGS2, PTGER2 PTGS2 2/4885PTGS1 4/4885NFKB1 270/4885
US-20020103141-A1 Antiangiogenic combination therapy for the treatment of cancer TOP2A, TOP2B, TOP1 PTGS2 4/4885PTGS1 6/4885NFKB1 1062/4885
US-20040127539-A1 Antiangiogenic combination therapy for the treatment of cancer TOP2A, TOP2B, TOP1 PTGS2 4/4885PTGS1 6/4885NFKB1 1062/4885

“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.