SCHEMBL1547544

SCHEMBL1547544

OCC(CO)Oc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
EPHX2 P34913 3/20 0.47
LMNA P02545 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
KDM4E B2RXH2 1/20 0.42
SLC7A5 Q01650 2/20 0.42
ALDH1A1 P00352 2/20 0.41
MAOB P27338 1/20 0.40
AOC3 Q16853 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 2/20 0.39
TRPV1 Q8NER1 1/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
PLA2G1B P04054 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL10873792 0.89 HRH3 (0.43) MAPTEPHX2LMNAL3MBTL1SLC7A5
SCHEMBL16281815 0.80 PDE2A (0.45) LMNAL3MBTL1SLC7A5ALDH1A1
SCHEMBL508904 0.77 TRPV3 (0.39) MMP1MMP2MMP9
SCHEMBL15140535 0.77 PPARG (0.43) MAPTLMNAALDH1A1KMT2ASMN1; SMN2
SCHEMBL2095932 0.77 MAOB (0.51) MAPTEPHX2LMNAL3MBTL1KDM4E
SCHEMBL254957 0.75 MAPT (0.56) MAPTEPHX2LMNAL3MBTL1KDM4E
SCHEMBL5698985 0.74 SCN9A (0.49) MAPTEPHX2ALDH1A1MAOBAOC3
SCHEMBL5698984 0.74 SCN9A (0.49) MAPTEPHX2ALDH1A1MAOBAOC3
SCHEMBL9570810 0.74 PDE2A (0.44) MAPTEPHX2LMNAL3MBTL1KDM4E
SCHEMBL9862495 0.74 PDE2A (0.44) MAPTEPHX2LMNAL3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8470841-B2 Heterocyclic compounds, processes for their preparation, medicaments comprising these compounds, and the use thereof SANOFI (FR) 2013-06-25 US disclosed
EP-2310372-B1 Heterocyclic compounds, processes for their preparation, medicaments comprising these compounds, and the use thereof SANOFI SA (FR) 2012-05-23 EP disclosed
US-20110183998-A1 HETEROCYCLIC COMPOUNDS, PROCESSES FOR THEIR PREPARATION, MEDICAMENTS COMPRISING THESE COMPOUNDS, AND THE USE THEREOF SANOFI-AVENTIS (FR) 2011-07-28 US disclosed
EP-2310372-A2 HETEROCYCLIC COMPOUNDS, PROCESSES FOR THEIR PREPARATION, MEDICAMENTS COMPRISING THESE COMPOUNDS, AND THE USE THEREOF Sanofi-Aventis (FR) 2011-04-20 EP disclosed
WO-2010003624-A2 HETEROCYCLIC COMPOUNDS, PROCESSES FOR THEIR PREPARATION, MEDICAMENTS COMPRISING THESE COMPOUNDS, AND THE USE THEREOF SANOFI-AVENTIS (FR) 2010-01-14 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 (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-20110183998-A1 HETEROCYCLIC COMPOUNDS, PROCESSES FOR THEIR PREPARATION, MEDICAMENTS COMPRISING THESE COMPOUNDS, AND THE USE THEREOF CS, CYP11B1, GPR119 MAPT 4465/4885EPHX2 1412/4885LMNA 705/4885

“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.