SCHEMBL2347875

SCHEMBL2347875

COc1ccc(COCC(=O)O)c(F)c1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.54
FFAR4 Q5NUL3 1/20 0.50
FFAR1 O14842 7/20 0.46
PPARD Q03181 4/20 0.46
LMNA P02545 1/20 0.46
HSD17B10 Q99714 1/20 0.45
MAOB P27338 1/20 0.43
CPS1 P31327 2/20 0.42
PTGS1 P23219 1/20 0.42
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42

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
SCHEMBL2349186 0.88 FFAR4 (0.50) POLBFFAR4FFAR1PPARDLMNA
SCHEMBL5037802 0.88 POLB (0.65) POLBLMNAHSD17B10
SCHEMBL5038069 0.82 POLB (0.50) POLBPPARDLMNAHSD17B10PTGS1
SCHEMBL5040978 0.81 CHRNA7 (0.45) POLBLMNAMAOB
SCHEMBL1142783 0.81 HSD17B10 (0.63) POLBFFAR4HSD17B10CPS1PTGS1
SCHEMBL5045300 0.80 FFAR1 (0.51) FFAR4FFAR1PPARDMAOB
SCHEMBL5037861 0.80 TAAR1 (0.47) POLBFFAR4FFAR1PPARDLMNA
SCHEMBL2723938 0.80 POLB (0.77) POLBFFAR4FFAR1
SCHEMBL5042405 0.78 MTNR1A (0.46) POLBLMNAHSD17B10
SCHEMBL23386065 0.78 POLB (0.65) POLBFFAR4FFAR1HSD17B10

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 10 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
US-20090131482-A1 METHYL-BENZIMIDAZOLE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2009-05-21 US disclosed
EP-1567498-B1 MANDELIC ACID DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-01-23 EP disclosed
US-7129238-B2 Mandelic acid derivatives HOFFMANN-LA ROCHE INC. (US) 2006-10-31 US disclosed
EP-1567498-A2 MANDELIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-08-31 EP disclosed
US-20040122057-A1 Novel mandelic acid derivatives HOFFMANN-LA ROCHE INC. 2004-06-24 US disclosed
WO-2004048335-A2 MANDELIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-06-10 WO 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 (3 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-20040122057-A1 Novel mandelic acid derivatives F7, F11, F9 POLB 4478/4885FFAR4 2736/4885FFAR1 1355/4885
US-20090131482-A1 METHYL-BENZIMIDAZOLE DERIVATIVES HDAC10, CYP3A4, ECI1 POLB 2531/4885FFAR4 1047/4885FFAR1 1189/4885
US-20100331371-A1 METHYL-BENZIMIDAZOLE DERIVATIVES HDAC10, CYP3A4, ECI1 POLB 2531/4885FFAR4 1047/4885FFAR1 1189/4885

“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.