SCHEMBL5542869

SCHEMBL5542869

[CH2]CC#Cc1ccccc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.39
IDO1 P14902 2/20 0.35
ALDH1A1 P00352 2/20 0.33
AR P10275 1/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SLC22A12 Q96S37 2/20 0.33
ADORA2B P29275 1/20 0.32
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ATM Q13315 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 1/20 0.30
TAAR1 Q96RJ0 1/20 0.30
HSD11B1 P28845 1/20 0.30
NFKB1 P19838 1/20 0.30
KIF11 P52732 1/20 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
SCHEMBL8304192 0.81 FFAR1 (0.43) FFAR1PTGDR2IDO1ALDH1A1AR
SCHEMBL6507538 0.81 FFAR1 (0.47) FFAR1PTGDR2IDO1ALDH1A1AR
SCHEMBL21974241 0.81 FFAR1 (0.43) FFAR1PTGDR2IDO1ALDH1A1AR
SCHEMBL5250347 0.78 FFAR1 (0.46) FFAR1PTGDR2IDO1ALDH1A1AR
SCHEMBL5250349 0.78 FFAR1 (0.43) FFAR1PTGDR2IDO1ALDH1A1AR
SCHEMBL8902611 0.77 FFAR1 (0.40) FFAR1PTGDR2IDO1ALDH1A1AR
SCHEMBL11236978 0.77 FFAR1 (0.40) FFAR1PTGDR2IDO1ALDH1A1AR
SCHEMBL21376142 0.74 FFAR1 (0.43) FFAR1PTGDR2IDO1ALDH1A1AR
SCHEMBL17274316 0.73 CYP3A4 (0.58) FFAR1PTGDR2ALDH1A1ARTDP1
SCHEMBL4299718 0.73 ALDH1A1 (0.39) FFAR1PTGDR2IDO1ALDH1A1AR

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 FFAR1 105/4885PTGDR2 1728/4885IDO1 3181/4885

“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.