SCHEMBL5544561

SCHEMBL5544561

[CH2]CC(=O)c1ccccc1F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.58
ERCC5 P28715 1/20 0.58
FEN1 P39748 1/20 0.58
CES2 O00748 3/20 0.58
CES1 P23141 3/20 0.58
ALDH1A1 P00352 2/20 0.54
ALOX15 P16050 1/20 0.54
CTNNB1 P35222 4/20 0.50
WNT3A P56704 4/20 0.50
GAA P10253 1/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
NPC1 O15118 3/20 0.46
MAPT P10636 2/20 0.46
HPGD P15428 2/20 0.46
KAT6A Q92794 1/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
BCHE P06276 1/20 0.43

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
SCHEMBL8616416 0.83 CTNNB1 (0.56) PTPN1ERCC5FEN1CES2CES1
SCHEMBL20508992 0.82 PTPN1 (0.74) PTPN1ERCC5FEN1CES2CES1
SCHEMBL30089515 0.82 CTNNB1 (0.68) PTPN1ERCC5FEN1CES2CES1
SCHEMBL9111787 0.80 CTNNB1 (0.53) PTPN1ERCC5FEN1CES2CES1
SCHEMBL14732971 0.80 CTNNB1 (0.61) PTPN1ERCC5FEN1CES2CES1
SCHEMBL8343202 0.80 CES2 (0.60) PTPN1ERCC5FEN1CES2CES1
SCHEMBL30842876 0.80 CES2 (0.60) PTPN1ERCC5FEN1CES2CES1
SCHEMBL167448 0.80 CES2 (0.60) PTPN1ERCC5FEN1CES2CES1
SCHEMBL28620969 0.79 CTNNB1 (0.51) PTPN1ERCC5FEN1CES2CES1
SCHEMBL8396548 0.78 PTPN1 (0.58) PTPN1ERCC5FEN1CES2CES1

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 17 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
CN-102532162-A 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2012-07-04 CN disclosed
CN-101255170-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-09-03 CN disclosed
CN-101172981-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-05-07 CN disclosed
CN-100366624-C 2, 3-dihydro-6-nitroimidazo [2,1-b ] * azole compounds OTSUKA PHARMA CO LTD (JP) 2008-02-06 CN 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
CN-1705670-A 2, 3-dihydro-6-nitroimidazo [2, 1-b ] oxazole compounds OTSUKA PHARMA CO LTD (JP) 2005-12-07 CN disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP disclosed
CN-1301264-A Pyrrolidine-3-carboxylic acid derivatives and their use as endothelin antagonists ABBOTT LAB (US) 2001-06-27 CN disclosed
EP-0035820-B1 NOVEL QUINOLINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH COMPOUNDS, AND METHOD FOR THE PREPARATION OF THESE COMPOUNDS ACF CHEMIEFARMA NV (NL) 1984-10-10 EP disclosed
US-4472403-A Quinoline derivatives and pharmaceutical compositions and methods for treating cardiovascular disease with such compounds A.C.F. CHEMIEFARMA N.V. (NL) 1984-09-18 US disclosed
US-4442106-A HYPOTENSIVE, ANTIARRHYTHMIA ACF CHEMIEFARMA N.V. (NL) 1984-04-10 US disclosed
EP-0035820-A2 Novel quinoline derivatives, pharmaceutical compositions containing such compounds, and method for the preparation of these compounds ACF CHEMIEFARMA NV (NL) 1981-09-16 EP disclosed
EP-0030044-A1 Quinoline derivatives, processes for their preparation, their use, pharmaceutical compositions containing them and a method for the preparation of these pharmaceutical compositions ACF CHEMIEFARMA NV (NL) 1981-06-10 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 PTPN1 1427/4885ERCC5 4470/4885FEN1 3996/4885

“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.