SCHEMBL6407128

SCHEMBL6407128

COc1ccc(Oc2ccc3c(c2)CC(C(=O)O)C(C(F)(F)F)O3)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.38
MALT1 Q9UDY8 3/20 0.38
PPARA Q07869 7/20 0.38
PPARD Q03181 4/20 0.37
PPARG P37231 2/20 0.37
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
PTGS1 P23219 2/20 0.36
PTGS2 P35354 2/20 0.36
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36

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
SCHEMBL6410905 1.00 FFAR1 (0.38) FFAR1MALT1PPARAPPARDPPARG
SCHEMBL6406090 0.87 GABRA1 (0.45) PPARDPTGS1PTGS2GABRA1GABRB2
SCHEMBL6413376 0.87 GABRA1 (0.45) PPARDPTGS1PTGS2GABRA1GABRB2
SCHEMBL6405407 0.85 FFAR4 (0.41) FFAR1PTGS1PTGS2
SCHEMBL6406371 0.85 FFAR4 (0.41) FFAR1PTGS1PTGS2
SCHEMBL6407685 0.83 ALOX5 (0.44) PPARAPPARG
SCHEMBL6408673 0.83 ALOX5 (0.44) PPARAPPARG
SCHEMBL6409206 0.83 PTGDR2 (0.40) FFAR1PTGS1PTGS2
SCHEMBL6409703 0.83 PTGDR2 (0.40) FFAR1PTGS1PTGS2
SCHEMBL6405663 0.82 FFAR1 (0.39) FFAR1PPARAPPARDPPARG

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 FFAR1 1472/4885MALT1 643/4885PPARA 1530/4885
US-20030232844-A1 Dihydrobenzopyrans, dihydrobenzothiopyrans, and tetrahydroquinolines for the treatment of cox-2 mediated disorders PTGS2, PTGS1, PTGES2 FFAR1 1180/4885MALT1 122/4885PPARA 1812/4885

“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.