SCHEMBL5544756

SCHEMBL5544756

O=COCCCCCCc1ccccc1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.41
KMT2A Q03164 2/20 0.39
PPARA Q07869 1/20 0.38
SCN8A Q9UQD0 1/20 0.38
PTGER1 P34995 3/20 0.38
PTGER4 P35408 3/20 0.38
PTGER3 P43115 3/20 0.38
PTGER2 P43116 3/20 0.38
FOLH1 Q04609 1/20 0.38
FFAR1 O14842 2/20 0.36
FFAR4 Q5NUL3 2/20 0.36
GAA P10253 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
GBA1 P04062 2/20 0.34
LCT P09848 2/20 0.34

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
SCHEMBL5539389 1.00 DPP4 (0.41) DPP4KMT2APPARASCN8APTGER1
SCHEMBL5546291 0.98 DPP4 (0.42) DPP4KMT2APPARASCN8APTGER1
SCHEMBL5541869 0.94 DPP4 (0.43) DPP4KMT2APPARASCN8APTGER1
SCHEMBL5542038 0.87 DPP4 (0.46) DPP4KMT2APPARASCN8APTGER1
SCHEMBL27765185 0.83 PTGER4 (0.41) DPP4KMT2APPARASCN8APTGER1
SCHEMBL27494060 0.82 DPP4 (0.40) DPP4KMT2APPARASCN8APTGER1
SCHEMBL18802977 0.79 TAAR1 (0.44)
SCHEMBL5544753 0.78 DPP4 (0.41) DPP4KMT2APPARASCN8APTGER1
SCHEMBL5539385 0.78 DPP4 (0.41) DPP4KMT2APPARASCN8APTGER1
SCHEMBL5541722 0.78 HDAC2 (0.49) FFAR1

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 DPP4 3965/4885KMT2A 4267/4885PPARA 429/4885

“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.