SCHEMBL2010283

SCHEMBL2010283

O=C(O)c1ccc(F)c(COc2ccc(-c3ccc(F)cc3F)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.56
PPARA Q07869 1/20 0.52
ALKBH1 Q13686 2/20 0.51
MRGPRX4 Q96LA9 1/20 0.50
NR4A2 P43354 3/20 0.49
FFAR1 O14842 4/20 0.48
FFAR4 Q5NUL3 4/20 0.48
GSK3B P49841 2/20 0.46
BACE1 P56817 2/20 0.46
PARP15 Q460N3 1/20 0.46
PARP14 Q460N5 1/20 0.46
PARP10 Q53GL7 1/20 0.46
LPAR1 Q92633 1/20 0.46
LPAR5 Q9H1C0 1/20 0.46
MAP4K4 O95819 1/20 0.46
PTGER1 P34995 1/20 0.45
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL2009729 0.87 MAOB (0.56) MAOBPPARAALKBH1MRGPRX4FFAR1
SCHEMBL1756377 0.82 MRGPRX4 (0.65) PPARAMRGPRX4NR4A2
SCHEMBL2010830 0.81 MAOB (0.50) MAOBPPARAFFAR1FFAR4GSK3B
SCHEMBL23978033 0.80 MRGPRX4 (0.69) MAOBPPARAMRGPRX4NR4A2PARP15
SCHEMBL1756330 0.80 GYS1 (0.54) MRGPRX4ALDH1A1GAA
SCHEMBL411705 0.78 BCL2L1 (0.62) MAP4K4ALDH1A1GAA
SCHEMBL2009537 0.78 MAOB (0.46) MAOBFFAR1FFAR4GSK3BBACE1
SCHEMBL11101459 0.76 ESR1 (0.51) MAOBFFAR1FFAR4MAP4K4ALDH1A1
SCHEMBL31530144 0.76 MRGPRX4 (0.53) MAOBPPARAALKBH1MRGPRX4NR4A2
SCHEMBL19140236 0.75 FFAR4 (0.56) MAOBPPARAALKBH1FFAR1FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011067266-A1 CARBOXYLIC ACID ANALOGS AS GLYCOGEN SYNTHASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-06-09 WO disclosed
US-20110136792-A1 NOVEL CARBOXYLIC ACID ANALOGS AS GLYCOGEN SYNTHASE ACTIVATORS BOLIN DAVID ROBERT 2011-06-09 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-20110136792-A1 NOVEL CARBOXYLIC ACID ANALOGS AS GLYCOGEN SYNTHASE ACTIVATORS GYS2, GYS1, PYGL MAOB 1010/4885PPARA 299/4885ALKBH1 2843/4885

“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.