SCHEMBL5545592

SCHEMBL5545592

CCOC(=O)c1ccccc1COC=O

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.61
ALDH1A1 P00352 4/20 0.53
HSD17B10 Q99714 3/20 0.53
LMNA P02545 2/20 0.49
KDM4E B2RXH2 5/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
CDC25B P30305 1/20 0.46
TP53 P04637 1/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44
MAPK10 P53779 1/20 0.44

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
SCHEMBL5536088 0.85 TSHR (0.57) TSHRALDH1A1HSD17B10LMNAKDM4E
SCHEMBL27285801 0.84 TSHR (0.66) TSHRALDH1A1HSD17B10LMNAKDM4E
SCHEMBL5536756 0.84 ALDH1A1 (0.55) TSHRALDH1A1HSD17B10LMNAKDM4E
SCHEMBL27522004 0.83 ALDH1A1 (0.59) TSHRALDH1A1LMNACYP1A2CYP2C19
SCHEMBL5610694 0.82 TSHR (0.67) TSHRALDH1A1HSD17B10LMNAKDM4E
SCHEMBL6441720 0.82 TSHR (0.67) TSHRALDH1A1HSD17B10LMNAKDM4E
SCHEMBL13355271 0.82 TSHR (0.67) TSHRALDH1A1HSD17B10LMNAKDM4E
SCHEMBL578128 0.81 TSHR (0.77) TSHRALDH1A1HSD17B10LMNAKDM4E
SCHEMBL10261769 0.81 SRC (0.39) TSHRALDH1A1LMNAKDM4ETP53
SCHEMBL6441724 0.81 TSHR (0.65) TSHRALDH1A1HSD17B10LMNAKDM4E

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 TSHR 319/4885ALDH1A1 355/4885HSD17B10 467/4885

“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.