SCHEMBL2095339

SCHEMBL2095339

[CH2]OCc1oc(C(=O)OCC)c(C(=O)OCC)c1C(=O)OCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
HPGD P15428 5/20 0.39
ALDH1A1 P00352 6/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
MAPT P10636 3/20 0.39
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 2/20 0.39
GAA P10253 1/20 0.39
CYP3A4 P08684 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
HSD17B10 Q99714 2/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
PDE4D Q08499 1/20 0.37
NPC1 O15118 2/20 0.36

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
SCHEMBL2095341 0.85 NR1H2 (0.42) NR1H2NR1H3HPGDALDH1A1SMN1; SMN2
SCHEMBL96204 0.73 HPGD (0.43) NR1H2NR1H3HPGDALDH1A1SMN1; SMN2
SCHEMBL96205 0.72 HPGD (0.50) NR1H2NR1H3HPGDALDH1A1SMN1; SMN2
SCHEMBL1124383 0.71 ALDH1A1 (0.45) NR1H2NR1H3HPGDALDH1A1SMN1; SMN2
SCHEMBL23461865 0.70 HPGD (0.49) NR1H2NR1H3HPGDALDH1A1SMN1; SMN2
SCHEMBL2093650 0.69 MAPK1 (0.46) NR1H2NR1H3ALDH1A1MAPTCA12
SCHEMBL11008658 0.67 ALDH1A1 (0.62) NR1H2NR1H3HPGDALDH1A1SMN1; SMN2
SCHEMBL10726878 0.67 ALDH1A1 (0.59) NR1H2NR1H3HPGDALDH1A1SMN1; SMN2
SCHEMBL16272967 0.65 NPC1 (0.45) HPGDALDH1A1SMN1; SMN2MAPTCA12
SCHEMBL9826324 0.65 MAPT (0.49) NR1H2NR1H3HPGDALDH1A1SMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163753-B2 2-(4-(4-(4-chlorophenyl)oxazol-2-yl)phenoxymethyl)-2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b]oxazole; bactericide; excellent bactericidal action against Mycobacterium tuberculosis, multi-drug-resistant Mycobacterium tuberculosis, and atypical acid-fast bacteria OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-04-24 US disclosed
EP-1678185-B1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMA CO LTD (JP) 2008-10-08 EP disclosed
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis OTSUKA PHAMACEUTICAL CO., LTD. (JP) 2008-05-22 US disclosed
EP-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 WO 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-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 NR1H2 133/4885NR1H3 166/4885HPGD 1951/4885

“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.