SCHEMBL5536724

SCHEMBL5536724

O=[C]OCCCCCCc1ccc(SC(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRZ1 P23471 4/20 0.43
PTPN1 P18031 3/20 0.42
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
EPHX2 P34913 1/20 0.34
NR1H4 Q96RI1 1/20 0.34
FAAH O00519 4/20 0.33
PTPN2 P17706 1/20 0.33
PTPN6 P29350 1/20 0.33
PTPN11 Q06124 1/20 0.33
S1PR2 O95136 1/20 0.33
S1PR4 O95977 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
CES1 P23141 3/20 0.32
KIF11 P52732 1/20 0.31

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
SCHEMBL5536681 1.00 PTPRZ1 (0.43) PTPRZ1PTPN1KDM4EALDH1A1TDP1
SCHEMBL5537818 0.98 PTPRZ1 (0.44) PTPRZ1PTPN1KDM4EALDH1A1TDP1
SCHEMBL5535863 0.94 PTPRZ1 (0.45) PTPRZ1PTPN1KDM4EALDH1A1TDP1
SCHEMBL5541929 0.88 PTPRZ1 (0.47) PTPRZ1PTPN1KDM4EALDH1A1TDP1
SCHEMBL5537185 0.80 MMP12 (0.38) ALDH1A1TDP1CA1CA2CA9
SCHEMBL5540450 0.80 MMP12 (0.38) ALDH1A1TDP1CA1CA2CA9
SCHEMBL2090243 0.80 HDAC1 (0.48) PTPN1PTPN2PTPN6PTPN11
SCHEMBL2091642 0.80 HDAC1 (0.48) PTPN1PTPN2PTPN6PTPN11
SCHEMBL5535599 0.78 MMP12 (0.39) ALDH1A1CA1CA2CA9
SCHEMBL5536424 0.78 HDAC1 (0.49) PTPN1PTPN2PTPN6PTPN11

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 PTPRZ1 2595/4885PTPN1 1427/4885KDM4E 4854/4885

“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.