SCHEMBL6406536

SCHEMBL6406536

O=C(O)C1Cc2cc(OC(F)(F)F)ccc2OC1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
FFAR4 Q5NUL3 13/20 0.47
FFAR1 O14842 2/20 0.47
BCL2L1 Q07817 1/20 0.40
MCL1 Q07820 1/20 0.40
PIM1 P11309 1/20 0.38
PPARA Q07869 2/20 0.37
NOTUM Q6P988 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
SCHEMBL6412233 1.00 PTGS1 (0.47) PTGS1PTGS2FFAR4FFAR1BCL2L1
SCHEMBL6408673 0.85 ALOX5 (0.44) FFAR4PPARA
SCHEMBL6407685 0.85 ALOX5 (0.44) FFAR4PPARA
SCHEMBL6406371 0.83 FFAR4 (0.41) PTGS1PTGS2FFAR4FFAR1
SCHEMBL6410142 0.83 PDE4A (0.43) PTGS1PTGS2FFAR4FFAR1PPARA
SCHEMBL6405407 0.83 FFAR4 (0.41) PTGS1PTGS2FFAR4FFAR1
SCHEMBL6413376 0.83 GABRA1 (0.45) PTGS1PTGS2
SCHEMBL6780340 0.83 PDE4A (0.43) PTGS1PTGS2FFAR4FFAR1PPARA
SCHEMBL6406090 0.83 GABRA1 (0.45) PTGS1PTGS2
SCHEMBL6682272 0.83 PTGS1 (0.46) PTGS1PTGS2FFAR4FFAR1BCL2L1

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 PTGS1 5/4885PTGS2 1/4885FFAR4 1283/4885
US-20030232844-A1 Dihydrobenzopyrans, dihydrobenzothiopyrans, and tetrahydroquinolines for the treatment of cox-2 mediated disorders PTGS2, PTGS1, PTGES2 PTGS1 2/4885PTGS2 1/4885FFAR4 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.