SCHEMBL5535938

SCHEMBL5535938

O=CCCCc1ccc(C(F)(F)C(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.42
PTPN1 P18031 1/20 0.42
PTPN6 P29350 1/20 0.42
PTPN11 Q06124 1/20 0.42
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
TAAR1 Q96RJ0 1/20 0.36
FDFT1 P37268 2/20 0.35
MAOB P27338 1/20 0.33
FAAH O00519 1/20 0.32
KCNH2 Q12809 1/20 0.32
PDPK1 O15530 1/20 0.31
HIF1A Q16665 1/20 0.31
MIF P14174 1/20 0.31
DAO P14920 4/20 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
SCHEMBL5539497 0.95 PTPN2 (0.45) PTPN2PTPN1PTPN6PTPN11HDAC1
SCHEMBL5543455 0.93 PTPN2 (0.44) PTPN2PTPN1PTPN6PTPN11HDAC1
SCHEMBL3244845 0.85 TAAR1 (0.52) PTPN2PTPN1PTPN6PTPN11HDAC1
SCHEMBL5542566 0.80 HDAC1 (0.53) PTPN2PTPN1PTPN6PTPN11HDAC1
SCHEMBL18242013 0.79 PTPN2 (0.46) PTPN2PTPN1PTPN6PTPN11HDAC1
SCHEMBL23176838 0.79 HDAC1 (0.51) PTPN2PTPN1PTPN6PTPN11HDAC1
SCHEMBL3245716 0.79 HDAC1 (0.51) PTPN2PTPN1PTPN6PTPN11HDAC1
SCHEMBL18242086 0.78 PTPN2 (0.49) PTPN2PTPN1PTPN6PTPN11HDAC1
SCHEMBL1068676 0.78 KCNH2 (0.53) KCNH2DAO
SCHEMBL18242616 0.76 PTPN2 (0.42) PTPN2PTPN1PTPN6PTPN11HDAC1

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 PTPN2 898/4885PTPN1 1427/4885PTPN6 1555/4885

“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.