SCHEMBL6410688

SCHEMBL6410688

O=C(O)C1Cc2cc(Cl)c(Oc3ccc(F)c(F)c3)cc2OC1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.39
FFAR1 O14842 3/20 0.38
FFAR4 Q5NUL3 4/20 0.36
PPARG P37231 2/20 0.35
PPARD Q03181 2/20 0.35
PPARA Q07869 2/20 0.35
PTGDR2 Q9Y5Y4 7/20 0.35
EPAS1 Q99814 1/20 0.33

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
SCHEMBL6404999 1.00 SCN9A (0.39) SCN9AFFAR1FFAR4PPARGPPARD
SCHEMBL6409233 0.94 FFAR1 (0.38) SCN9AFFAR1PPARGPPARDPPARA
SCHEMBL6409704 0.94 FFAR1 (0.38) SCN9AFFAR1PPARGPPARDPPARA
SCHEMBL6409890 0.91 PTGDR2 (0.39) FFAR1PPARGPPARDPPARAPTGDR2
SCHEMBL6410039 0.91 PTGDR2 (0.39) FFAR1PPARGPPARDPPARAPTGDR2
SCHEMBL6405663 0.90 FFAR1 (0.39) FFAR1FFAR4PPARGPPARDPPARA
SCHEMBL6409047 0.88 MRGPRX4 (0.38) FFAR1PPARGPPARDPPARAPTGDR2
SCHEMBL6408586 0.88 MRGPRX4 (0.38) FFAR1PPARGPPARDPPARAPTGDR2
SCHEMBL6412079 0.88 PTGS1 (0.39) FFAR1PPARGPPARDPPARAPTGDR2
SCHEMBL6409075 0.88 PTGS1 (0.39) FFAR1PPARGPPARDPPARAPTGDR2

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 3 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
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 SCN9A 4741/4885FFAR1 1472/4885FFAR4 1283/4885
US-20030232844-A1 Dihydrobenzopyrans, dihydrobenzothiopyrans, and tetrahydroquinolines for the treatment of cox-2 mediated disorders PTGS2, PTGS1, PTGES2 SCN9A 4745/4885FFAR1 1180/4885FFAR4 1641/4885

“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.