SCHEMBL5543330

SCHEMBL5543330

CCCCC(=O)OCc1nccs1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.51
CYP3A4 P08684 5/20 0.42
ALDH1A1 P00352 1/20 0.42
PKM P14618 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
HRH2 P25021 1/20 0.40
HRH1 P35367 1/20 0.40
CYP2C9 P11712 2/20 0.40
ADORA2A P29274 1/20 0.40
FDPS P14324 1/20 0.40
TNF P01375 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
DGKA P23743 1/20 0.39

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
SCHEMBL20724252 0.84 ALDH1A1 (0.46) L3MBTL1CYP3A4ALDH1A1PKMFDPS
SCHEMBL6643638 0.79 CYP4F2 (0.48) L3MBTL1CYP3A4ALDH1A1PKMTDP1
SCHEMBL5543445 0.78 CTSK (0.46) L3MBTL1CYP3A4ALDH1A1PKMHRH2
SCHEMBL12128092 0.78 L3MBTL1 (0.53) L3MBTL1CYP3A4TDP1CYP2C9CYP1A2
SCHEMBL19765222 0.74 CYP3A4 (0.46) CYP3A4ALDH1A1PKMFDPS
SCHEMBL13264272 0.74 CYP3A4 (0.48) L3MBTL1CYP3A4ALDH1A1PKM
SCHEMBL4358364 0.73 CYP3A4 (0.47) L3MBTL1CYP3A4ALDH1A1PKM
SCHEMBL2658210 0.72 PKM (0.51) ALDH1A1PKMFDPS
SCHEMBL3827451 0.71 CES1 (0.56) CYP3A4ALDH1A1PKMTDP1TNF
SCHEMBL7488531 0.70 CHRM2 (0.37) L3MBTL1CYP3A4ALDH1A1PKMHRH2

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 L3MBTL1 1931/4885CYP3A4 1683/4885ALDH1A1 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.