SCHEMBL4427558

SCHEMBL4427558

O=C(O)CCc1ccc(OCc2cnc(-c3ccc(C(F)(F)F)cc3)nc2C2CC2)c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 8/20 0.49
FFAR1 O14842 4/20 0.41
PPARD Q03181 4/20 0.40
PPARG P37231 4/20 0.39
PPARA Q07869 4/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.37
FFAR2 O15552 1/20 0.36
S1PR1 P21453 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
SCHEMBL4430360 0.90 PPARG (0.41) FFAR4PPARDPPARGPPARAMRGPRX4
SCHEMBL4417675 0.86 FFAR1 (0.42) FFAR4FFAR1PPARDPPARGPPARA
SCHEMBL1549165 0.81 PPARD (0.59) FFAR4FFAR1PPARDPPARGPPARA
SCHEMBL1549554 0.81 FFAR4 (0.46) FFAR4FFAR1PPARDPPARGPPARA
SCHEMBL4424882 0.78 FFAR4 (0.55) FFAR4FFAR1PPARDPPARGPPARA
SCHEMBL4420148 0.77 FFAR4 (0.56) FFAR4FFAR1PPARDPPARGPPARA
SCHEMBL4427460 0.77 PPARD (0.42) PPARDPPARGPPARAMRGPRX4
SCHEMBL1227421 0.76 PTGDR2 (0.41) FFAR1PTGDR2
SCHEMBL27642969 0.76 PPARD (0.53) FFAR4FFAR1PPARDPPARGPPARA
SCHEMBL4424009 0.76 TRPM2 (0.40) FFAR4FFAR1PPARDPPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7495001-B2 Benzannelated derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2009-02-24 US claimed
JP-2007509998-A 2007-04-19 JP claimed
CN-1875001-A Benzocyclolated compounds as PPAR activators HOFFMANN LA ROCHE (CH) 2006-12-06 CN claimed
EP-1682507-A1 BENZANNELATED COMPOUNDS AS PPAR ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2006-07-26 EP claimed
WO-2005049572-A1 BENZANNELATED COMPOUNDS AS PPAR ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-06-02 WO claimed
US-20050096336-A1 Benzannelated derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. 2005-05-05 US claimed
US-7495001-B2 Benzannelated derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2009-02-24 US disclosed
CN-1875001-A Benzocyclolated compounds as PPAR activators HOFFMANN LA ROCHE (CH) 2006-12-06 CN disclosed
EP-1682507-A1 BENZANNELATED COMPOUNDS AS PPAR ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2006-07-26 EP disclosed
WO-2005049572-A1 BENZANNELATED COMPOUNDS AS PPAR ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-06-02 WO disclosed
US-20050096336-A1 Benzannelated derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. 2005-05-05 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 (1 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-20050096336-A1 Benzannelated derivatives, their manufacture and use as pharmaceutical agents PPARD, PPARA, PPARG FFAR4 5/4885FFAR1 10/4885PPARD 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.