SCHEMBL6092693

SCHEMBL6092693

CC(C)(C)c1ccc2c(c1)C=C(C(=O)O)[C@@H](C(F)(F)F)O2

nearest known ligand 0.80

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.80
PTGS1 P23219 11/20 0.80

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
SCHEMBL6092485 1.00 PTGS2 (0.80) PTGS2PTGS1
SCHEMBL28023917 0.99 PTGS2 (0.78) PTGS2PTGS1
SCHEMBL5646530 0.92 PTGS2 (0.80) PTGS2PTGS1
SCHEMBL214145 0.89 PTGS2 (0.64) PTGS2PTGS1
SCHEMBL6093423 0.89 PTGS2 (0.64) PTGS2PTGS1
SCHEMBL5709012 0.89 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL6093607 0.89 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL6092935 0.86 PTGS2 (0.80) PTGS2PTGS1
SCHEMBL6092931 0.86 PTGS2 (0.80) PTGS2PTGS1
SCHEMBL6091737 0.83 PTGS2 (1.00) 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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104870431-A Salt Forms and Crystal Forms ASKAT INC 2015-08-26 CN claimed
CN-104870431-B Salt Forms and Crystal Forms 株式会社AskAt 2017-07-18 CN disclosed
CN-104870431-A Salt Forms and Crystal Forms ASKAT INC 2015-08-26 CN 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
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-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
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
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 (3 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 1/4885
US-20040038977-A1 Substituted bezopyran derivatives for the treatment of inflammation PTGS1, PTGES2, IL1R1 PTGS2 4/4885PTGS1 1/4885
US-20050049252-A1 Substituted benzopyran derivatives for the treatment of inflammation PTGES2, PTGS2, PTGER2 PTGS2 2/4885PTGS1 4/4885

“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.