SCHEMBL5543445

SCHEMBL5543445

CCCCC(C)C(=O)OCc1nccs1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.43
CYP3A4 P08684 6/20 0.43
ALDH1A1 P00352 1/20 0.40
PKM P14618 1/20 0.40
ACACB O00763 1/20 0.38
FDPS P14324 1/20 0.37
HSPA5 P11021 1/20 0.37
HRH2 P25021 1/20 0.36
HRH1 P35367 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 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
SCHEMBL5535829 0.92 CYP3A4 (0.44) CTSKL3MBTL1CYP3A4ALDH1A1PKM
SCHEMBL19765222 0.81 CYP3A4 (0.46) CYP3A4ALDH1A1PKMACACBFDPS
SCHEMBL5547245 0.79 CYP3A4 (0.41) CTSKL3MBTL1CYP3A4ALDH1A1PKM
SCHEMBL5543330 0.78 L3MBTL1 (0.51) L3MBTL1CYP3A4ALDH1A1PKMFDPS
SCHEMBL20724252 0.74 ALDH1A1 (0.46) L3MBTL1CYP3A4ALDH1A1PKMACACB
SCHEMBL8316849 0.74 ALDH1A1 (0.46) L3MBTL1CYP3A4ALDH1A1PKMACACB
SCHEMBL5542514 0.72 CTSK (0.47) CTSKCYP3A4ACACBLMNAHTT
SCHEMBL5543425 0.72 CTSK (0.47) CTSKCYP3A4ALDH1A1PKMACACB
SCHEMBL1722216 0.71 CA1 (0.48) CYP3A4ALDH1A1FDPSLMNA
SCHEMBL15800111 0.71 CA1 (0.48) CYP3A4ALDH1A1FDPSLMNA

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 CTSK 4510/4885L3MBTL1 1931/4885CYP3A4 1683/4885

“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.