SCHEMBL5542287

SCHEMBL5542287

O=COCc1ccccc1SC(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 13/20 0.52
FFAR1 O14842 5/20 0.48
ALDH1A1 P00352 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NTRK1 P04629 2/20 0.35
SLC6A2 P23975 1/20 0.33
IDO1 P14902 2/20 0.32
HCAR1 Q9BXC0 1/20 0.31

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
SCHEMBL515495 0.77 L3MBTL1 (0.47) ALDH1A1HPGDHTTL3MBTL1SLC6A2
SCHEMBL15739404 0.77 SRC (0.33) FFAR4ALDH1A1L3MBTL1
SCHEMBL1715944 0.77 IDO1 (0.55) FFAR4FFAR1IDO1
SCHEMBL5542283 0.77 FFAR4 (0.52) FFAR4FFAR1ALDH1A1PKMHPGD
Hydrochloric Acid SCHEMBL1715862 0.76 IDO1 (0.56) FFAR4FFAR1IDO1
SCHEMBL11406620 0.75 SRC (0.40) ALDH1A1HPGDHTTIDO1
SCHEMBL12361207 0.74 FFAR4 (0.49) FFAR4FFAR1ALDH1A1PKMHPGD
SCHEMBL6762797 0.74 FFAR4 (0.49) FFAR4FFAR1ALDH1A1PKMHPGD
SCHEMBL2091829 0.74 IDO1 (0.59) FFAR4FFAR1ALDH1A1HTTIDO1
SCHEMBL10563241 0.73 ADH1B (0.43) FFAR4FFAR1ALDH1A1PKMHPGD

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
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 FFAR4 338/4885FFAR1 105/4885ALDH1A1 355/4885

“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.