SCHEMBL5542861

SCHEMBL5542861

Cc1nc(C)c(CO[C]=O)s1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 1/20 0.36
ALDH1A1 P00352 2/20 0.35
GAA P10253 2/20 0.35
PDE10A Q9Y233 4/20 0.34
TP53 P04637 1/20 0.34
THRB P10828 1/20 0.34
NMT1 P30419 1/20 0.30
NR1I2 O75469 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30

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
SCHEMBL791978 0.75 PDE10A (0.41) SLC6A3ALDH1A1GAAPDE10ATP53
SCHEMBL27074576 0.74 PDE10A (0.36) SLC6A3ALDH1A1GAAPDE10ATP53
SCHEMBL26113843 0.74 PDE10A (0.40) SLC6A3ALDH1A1GAAPDE10ATP53
SCHEMBL5539400 0.72 FFAR1 (0.41) ALDH1A1GAATP53
SCHEMBL17824967 0.72 TP53 (0.39) SLC6A3ALDH1A1GAAPDE10ATP53
SCHEMBL25398658 0.70 SLC6A3 (0.35) SLC6A3ALDH1A1GAAPDE10ATP53
SCHEMBL23028632 0.69 ALDH1A1 (0.38) SLC6A3ALDH1A1GAAPDE10ATP53
SCHEMBL5543582 0.68 ALDH1A1 (0.47) SLC6A3ALDH1A1PDE10ANMT1CYP2D6
SCHEMBL755570 0.68
SCHEMBL9812734 0.66

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 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 SLC6A3 1944/4885ALDH1A1 355/4885GAA 4165/4885

“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.