SCHEMBL5536554

SCHEMBL5536554

Cc1ccc(S(=O)(=O)OCC(O)Cn2cc([N+](=O)[O-])nc2Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.42
ALDH1A1 P00352 5/20 0.38
HTT P42858 2/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 2/20 0.38
SOS1 Q07889 1/20 0.36
MITF O75030 1/20 0.35
USP2 O75604 1/20 0.34
TSHR P16473 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
GAA P10253 2/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL5536543 1.00 PKM (0.42) PKMALDH1A1HTTMAPTKMT2A
SCHEMBL13280888 0.90 PKM (0.40) PKMALDH1A1HTTMAPTKMT2A
SCHEMBL16367389 0.81 ALDH1A1 (0.39) PKMALDH1A1HTTMAPTKMT2A
SCHEMBL5316860 0.80 ALDH1A1 (0.41) PKMALDH1A1HTTKMT2ASOS1
SCHEMBL16367292 0.79 KMT2A (0.54) ALDH1A1HTTMAPTKMT2AUSP2
SCHEMBL5539492 0.78 PKM (0.41) PKMALDH1A1HTTMAPTKMT2A
SCHEMBL5535905 0.78 PKM (0.41) PKMALDH1A1HTTMAPTKMT2A
SCHEMBL14775138 0.77 PKM (0.40) PKMALDH1A1HTTMAPTKMT2A
SCHEMBL14775141 0.77 PKM (0.40) PKMALDH1A1HTTMAPTKMT2A
SCHEMBL15607876 0.77 ALDH1A1 (0.37) ALDH1A1HTTMAPTKMT2AUSP2

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 PKM 4291/4885ALDH1A1 355/4885HTT 4644/4885

“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.