SCHEMBL5535829

SCHEMBL5535829

CCCC(C)C(=O)OCc1nccs1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 9/20 0.44
ALDH1A1 P00352 3/20 0.41
PKM P14618 1/20 0.41
KDM4E B2RXH2 1/20 0.40
CTSK P43235 1/20 0.40
ACACB O00763 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
FDPS P14324 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.37

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
SCHEMBL5543445 0.92 CTSK (0.46) CYP3A4ALDH1A1PKMCTSKACACB
SCHEMBL5547245 0.84 CYP3A4 (0.41) CYP3A4ALDH1A1PKMCTSKACACB
SCHEMBL19765222 0.83 CYP3A4 (0.46) CYP3A4ALDH1A1PKMACACBFDPS
SCHEMBL20724252 0.76 ALDH1A1 (0.46) CYP3A4ALDH1A1PKMACACBL3MBTL1
SCHEMBL8316849 0.76 ALDH1A1 (0.46) CYP3A4ALDH1A1PKMACACBL3MBTL1
SCHEMBL5543330 0.75 L3MBTL1 (0.51) CYP3A4ALDH1A1PKML3MBTL1FDPS
SCHEMBL13264272 0.73 CYP3A4 (0.48) CYP3A4ALDH1A1PKML3MBTL1SMN1; SMN2
SCHEMBL30845136 0.73 FDPS (0.42) CYP3A4ALDH1A1PKMACACBFDPS
SCHEMBL3432947 0.72 L3MBTL1 (0.47) CYP3A4ALDH1A1PKMKDM4EACACB
SCHEMBL4358364 0.72 CYP3A4 (0.47) CYP3A4ALDH1A1PKML3MBTL1

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 CYP3A4 1683/4885ALDH1A1 355/4885PKM 4291/4885

“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.