SCHEMBL5543425

SCHEMBL5543425

CCCCC(C)C(=O)OCc1cscn1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.47
MAPK1 P28482 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PKM P14618 1/20 0.35
CYP3A4 P08684 3/20 0.33
ALDH1A1 P00352 2/20 0.33
CA2 P00918 2/20 0.33
ACACB O00763 1/20 0.33
ALOX5 P09917 2/20 0.33
CA1 P00915 3/20 0.33
PTGES O14684 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SLC6A3 Q01959 1/20 0.32
GRM5 P41594 1/20 0.32
GPR88 Q9GZN0 1/20 0.32

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
SCHEMBL3999264 0.73 PKM (0.44) MAPK1NPSR1PKMALDH1A1ALOX5
SCHEMBL5543445 0.72 CTSK (0.46) CTSKPKMCYP3A4ALDH1A1ACACB
SCHEMBL5542514 0.72 CTSK (0.47) CTSKCYP3A4ACACBLMNASMN1; SMN2
SCHEMBL12352573 0.71 PGR (0.52) CTSKMAPK1ALDH1A1LMNASMN1; SMN2
SCHEMBL27817856 0.71 CTSK (0.40) CTSKMAPK1NPSR1PKMCYP3A4
SCHEMBL27901729 0.70 MAPK1 (0.36) CTSKMAPK1NPSR1PKMALDH1A1
SCHEMBL27769538 0.70 CTSK (0.39) CTSKALDH1A1LMNAGAASMN1; SMN2
SCHEMBL7218218 0.69 CA1 (0.47) MAPK1CYP3A4ALDH1A1CA2CA1
SCHEMBL16578240 0.69 CTSK (0.38) CTSKMAPK1NPSR1PKMSLC6A3
SCHEMBL19608914 0.69 ALDH1A1 (0.40) MAPK1CYP3A4ALDH1A1CA2ALOX5

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 4510/4885MAPK1 1392/4885NPSR1 747/4885

“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.