SCHEMBL6409206

SCHEMBL6409206

COc1ccc(Oc2cc3c(cc2Cl)C[C@@H](C(=O)O)[C@@H](C(F)(F)F)O3)cc1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 16/20 0.40
PTGS1 P23219 2/20 0.37
PTGS2 P35354 2/20 0.37
FFAR1 O14842 1/20 0.37

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
SCHEMBL6409703 1.00 PTGDR2 (0.40) PTGDR2PTGS1PTGS2FFAR1
SCHEMBL6410039 0.92 PTGDR2 (0.39) PTGDR2FFAR1
SCHEMBL6409890 0.92 PTGDR2 (0.39) PTGDR2FFAR1
SCHEMBL6409075 0.91 PTGS1 (0.39) PTGDR2PTGS1PTGS2FFAR1
SCHEMBL6412079 0.91 PTGS1 (0.39) PTGDR2PTGS1PTGS2FFAR1
SCHEMBL6405247 0.90 PTGDR2 (0.39) PTGDR2FFAR1
SCHEMBL6404542 0.90 EGLN1 (0.39) PTGDR2PTGS1PTGS2FFAR1
SCHEMBL6413352 0.90 PTGDR2 (0.39) PTGDR2FFAR1
SCHEMBL6405405 0.90 EGLN1 (0.39) PTGDR2PTGS1PTGS2FFAR1
SCHEMBL6410857 0.90 FFAR1 (0.45) PTGDR2FFAR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050010050-A1 Dihydrobenzopyrans, dihydrobenzothiopyrans, and tetrahydroquinolines for the treatment of COX-2-mediated disorders G.D. SEARLE & CO. (US) 2005-01-13 US disclosed
US-6822102-B2 COMPOUNDS SUCH AS (2S,3R)-6,8-DICHLORO-3,4-DIHYDRO-2-(TRIFLUOROMETHYL)-2H-1-BENZOPYRAN-3 -CARBOXYLIC ACID, USED AS ANTIINFLAMMATORY, ANTIARTHRITIC, ANTICARCINOGENIC AGENTS OR ANALGESICS PHARMACIA CORPORATION 2004-11-23 US disclosed
EP-1274700-B1 DIHYDROBENZOPYRANS, DIHYDROBENZOTHIOPYRANS, AND TETRAHYDROQUINOLINES FOR THE TREATMENT OF COX-2-MEDIATED DISORDERS PHARMACIA CORP (US) 2004-11-17 EP disclosed
US-20030232844-A1 Dihydrobenzopyrans, dihydrobenzothiopyrans, and tetrahydroquinolines for the treatment of cox-2 mediated disorders PHARMACIA CORPORATION 2003-12-18 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 (2 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-20050010050-A1 Dihydrobenzopyrans, dihydrobenzothiopyrans, and tetrahydroquinolines for the treatment of COX-2-mediated disorders PTGS2, PTGES2, PTGER2 PTGDR2 4/4885PTGS1 5/4885PTGS2 1/4885
US-20030232844-A1 Dihydrobenzopyrans, dihydrobenzothiopyrans, and tetrahydroquinolines for the treatment of cox-2 mediated disorders PTGS2, PTGS1, PTGES2 PTGDR2 5/4885PTGS1 2/4885PTGS2 1/4885

“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.