SCHEMBL2345245

SCHEMBL2345245

CCOc1cc(F)c(COCC(=O)O)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 9/20 0.44
PPARD Q03181 5/20 0.44
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
MAPT P10636 1/20 0.42
PTGS2 P35354 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
GLA P06280 1/20 0.39
PTGIR P43119 2/20 0.38
THRB P10828 2/20 0.38
THRA P10827 1/20 0.38
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
KAT6A Q92794 1/20 0.36
PLA2G4B P0C869 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
SCHEMBL5037861 0.84 TAAR1 (0.47) FFAR1PPARDPPARGPPARAMAPT
SCHEMBL5037900 0.77 L3MBTL1 (0.42) FFAR1PPARDPPARGPPARAL3MBTL1
SCHEMBL28301366 0.74 THRB (0.45) PPARGFFAR4THRBTHRARXRA
SCHEMBL14232741 0.73 PTGS2 (0.40) FFAR1MAPTPTGS2FFAR4RXRA
SCHEMBL2799007 0.73 PTGS2 (0.44) FFAR1PTGS2FFAR4RXRARXRB
SCHEMBL2352765 0.73 MMP1 (0.44) PTGIR
SCHEMBL4676716 0.72 NQO1 (0.41) FFAR1MAPTPTGS2FFAR4KAT6A
SCHEMBL19398046 0.72 NQO1 (0.44) FFAR1L3MBTL1MAPTPTGS2FFAR4
SCHEMBL2799354 0.71 PARP10 (0.50) FFAR1MAPTPTGS2FFAR4
SCHEMBL26730009 0.69 HPGD (0.51) FFAR1L3MBTL1MAPTTHRBTHRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2222645-B1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS FXR AGONISTS HOFFMANN LA ROCHE (CH) 2013-03-20 EP disclosed
US-8008503-B2 Methyl-benzimidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2011-08-30 US disclosed
US-20100331371-A1 METHYL-BENZIMIDAZOLE DERIVATIVES BENSON GREGORY MARTIN 2010-12-30 US disclosed
US-7825258-B2 Methyl-benzimidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2010-11-02 US disclosed
EP-2222645-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS FXR AGONISTS F. Hoffmann-La Roche AG (CH) 2010-09-01 EP disclosed
WO-2009062874-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS FXR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-05-22 WO disclosed
US-20090131482-A1 METHYL-BENZIMIDAZOLE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2009-05-21 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-20090131482-A1 METHYL-BENZIMIDAZOLE DERIVATIVES HDAC10, CYP3A4, ECI1 FFAR1 1189/4885PPARD 58/4885PPARG 184/4885
US-20100331371-A1 METHYL-BENZIMIDAZOLE DERIVATIVES HDAC10, CYP3A4, ECI1 FFAR1 1189/4885PPARD 58/4885PPARG 184/4885

“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.