SCHEMBL6093316

SCHEMBL6093316

O=C(O)C1=Cc2ccccc2O[C@@H]1C(F)(F)F

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 19/20 0.65
PTGS1 P23219 11/20 0.65
P2RY6 Q15077 1/20 0.54

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
SCHEMBL4751105 1.00 PTGS2 (0.65) PTGS2PTGS1P2RY6
SCHEMBL27916566 1.00 PTGS2 (0.65) PTGS2PTGS1P2RY6
SCHEMBL27648680 0.98 PTGS2 (0.63) PTGS2PTGS1P2RY6
Fluoride SCHEMBL28028189 0.98 PTGS2 (0.63) PTGS2PTGS1P2RY6
Trifluoroacetic Acid SCHEMBL27628779 0.95 PTGS2 (0.60) PTGS2PTGS1P2RY6
Benzene SCHEMBL6629703 0.93 PTGS2 (0.62) PTGS2PTGS1
SCHEMBL5667657 0.84 P2RY6 (0.55) PTGS2PTGS1P2RY6
SCHEMBL212846 0.83 PTGS2 (0.59) PTGS2PTGS1
SCHEMBL6094453 0.83 PTGS2 (0.59) PTGS2PTGS1
SCHEMBL6094984 0.83 PTGS2 (0.67) 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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210186923-A1 THERAPEUTIC FORMULATIONS AND USES THEREOF PIEDMONT ANIMAL HEALTH LLC 2021-06-24 US disclosed
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
CN-1196692-C Substituted benzopyran derivatives for the treatment of inflammation SEARLE & CO (US) 2005-04-13 CN 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
CN-1515566-A Substituted chromene derivative for curing inflammation G.D. 2004-07-28 CN disclosed
CN-1150181-C Substituted benzopyran analogs for treatment of inflammation GD 2004-05-19 CN 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
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
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
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

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

For each of this compound's patents that has machine-readable text (4 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-20210186923-A1 THERAPEUTIC FORMULATIONS AND USES THEREOF PTGES2, PTGES, PTGS2 PTGS2 3/4885PTGS1 10/4885P2RY6 834/4885
US-20020010206-A1 Substituted benzopyran analogs for the treatment of inflammation PTGS1, IL1R1, PTGES2 PTGS2 5/4885PTGS1 1/4885P2RY6 646/4885
US-20040038977-A1 Substituted bezopyran derivatives for the treatment of inflammation PTGS1, PTGES2, IL1R1 PTGS2 4/4885PTGS1 1/4885P2RY6 483/4885
US-20050049252-A1 Substituted benzopyran derivatives for the treatment of inflammation PTGES2, PTGS2, PTGER2 PTGS2 2/4885PTGS1 4/4885P2RY6 364/4885

“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.