SCHEMBL5541874

SCHEMBL5541874

[CH2]c1cccc(OS(C)(=O)=O)c1OS(C)(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.39
ALPL P05186 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KDM4E B2RXH2 1/20 0.33
KMT2A Q03164 1/20 0.33
INPPL1 O15357 1/20 0.31
INPP5B P32019 1/20 0.31
INPP5A Q14642 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL64791 0.86 CYP1A2 (0.44) CYP1A2ALPLTSHRHSD17B10KDM4E
SCHEMBL5536478 0.82 ELANE (0.35) CYP1A2ALPLTSHRHSD17B10KDM4E
SCHEMBL14500654 0.78 TSHR (0.46) CYP1A2ALPLTSHRHSD17B10KDM4E
SCHEMBL9958029 0.78 SMN1; SMN2 (0.44) CYP1A2ALPLTSHRHSD17B10KDM4E
SCHEMBL9958678 0.78 CYP1A2 (0.41) CYP1A2ALPLTSHRHSD17B10SMN1; SMN2
SCHEMBL5702524 0.77 HSD17B10 (0.41) CYP1A2ALPLTSHRHSD17B10KDM4E
SCHEMBL9958216 0.74 CA12 (0.44) CYP1A2ALPLTSHRHSD17B10SMN1; SMN2
SCHEMBL8776805 0.74 FNTA (0.39) CYP1A2ALPLTSHRHSD17B10KDM4E
SCHEMBL3839152 0.74 NFE2L2 (0.42) KDM4EKMT2ASMN1; SMN2
SCHEMBL2460830 0.74 SMN1; SMN2 (0.47) HSD17B10KDM4ESMN1; SMN2

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 CYP1A2 659/4885ALPL 3589/4885TSHR 319/4885

“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.