SCHEMBL4424882

SCHEMBL4424882

O=C(O)CCc1ccc(OCc2ncc(-c3ccc(C(F)(F)F)cc3)cn2)c2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 8/20 0.55
FFAR1 O14842 3/20 0.45
PPARD Q03181 5/20 0.44
S1PR1 P21453 1/20 0.43
PPARG P37231 2/20 0.42
PPARA Q07869 2/20 0.42
FFAR2 O15552 1/20 0.42
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
PTPN6 P29350 1/20 0.40
LTB4R Q15722 2/20 0.40
GCGR P47871 1/20 0.40

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
SCHEMBL4421579 0.88 PPARG (0.44) FFAR4PPARDPPARGPPARA
SCHEMBL4420148 0.81 FFAR4 (0.56) FFAR4FFAR1PPARDPPARGPPARA
SCHEMBL4427558 0.78 FFAR4 (0.49) FFAR4FFAR1PPARDS1PR1PPARG
SCHEMBL1549699 0.78 PPARD (0.66) FFAR4FFAR1PPARDPPARGPPARA
SCHEMBL4424891 0.76 PPARG (0.50) FFAR4FFAR1PPARDPPARGPPARA
SCHEMBL4420617 0.71 PPARG (0.45) FFAR4PPARDS1PR1PPARGPPARA
SCHEMBL16048767 0.69 FFAR4 (0.78) FFAR4
SCHEMBL2533427 0.67 FFAR4 (0.51) FFAR4FFAR1PPARDS1PR1PPARA
SCHEMBL2539389 0.67 FFAR4 (0.51) FFAR4FFAR1PPARDS1PR1PPARA
SCHEMBL1549560 0.67 PPARD (0.54) 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 9 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
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
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.