SCHEMBL5543641

SCHEMBL5543641

[O-][S+](c1ccc(OC(F)(F)F)cc1)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
EPHX2 P34913 1/20 0.42
GPR3 P46089 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 1/20 0.38
KIF11 P52732 2/20 0.38
SCN5A Q14524 1/20 0.38
PDE2A O00408 1/20 0.37
NISCH Q9Y2I1 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
ALDH1A1 P00352 2/20 0.36
TSHR P16473 2/20 0.36
KMT2A Q03164 2/20 0.36
MAOB P27338 1/20 0.36
AOC3 Q16853 1/20 0.36
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
BLM P54132 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
SCHEMBL7929169 0.90 MAPT (0.41) MAPTEPHX2L3MBTL1KDM4EALDH1A1
SCHEMBL24903821 0.84 MAPT (0.41) MAPTEPHX2GPR3L3MBTL1KDM4E
SCHEMBL9233844 0.83 MAPT (0.42) MAPTEPHX2L3MBTL1KDM4EKIF11
SCHEMBL514998 0.83 MAPT (0.40) MAPTEPHX2GPR3L3MBTL1KDM4E
SCHEMBL19625938 0.83 MAPT (0.40) MAPTEPHX2GPR3L3MBTL1KDM4E
SCHEMBL254957 0.80 MAPT (0.56) MAPTEPHX2GPR3L3MBTL1KDM4E
SCHEMBL24903825 0.79 MAPT (0.38) MAPTEPHX2GPR3L3MBTL1KDM4E
SCHEMBL24903834 0.78 L3MBTL1 (0.44) MAPTEPHX2L3MBTL1KDM4EKIF11
SCHEMBL482301 0.77 SLC6A2 (0.35) MAPTKDM4EKIF11KMT2AMEN1
SCHEMBL5535591 0.77 GPR3 (0.35) MAPTEPHX2GPR3KIF11FFAR4

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
CN-114685251-A Direct cross-coupling reaction method of diaryl sulfoxide and aryl bromide 南京工业大学 2022-07-01 CN claimed
CN-114685251-A Direct cross-coupling reaction method of diaryl sulfoxide and aryl bromide 南京工业大学 2022-07-01 CN disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP 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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 MAPT 4117/4885EPHX2 3662/4885GPR3 80/4885

“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.