SCHEMBL5539423

SCHEMBL5539423

Fc1cccc(CC[C]=S)c1F

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.38
AKR1B1 P15121 1/20 0.36
CXCR2 P25025 4/20 0.35
MPO P05164 3/20 0.34
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
RIPK1 Q13546 1/20 0.33
SLC6A4 P31645 2/20 0.33
HTR2A P28223 1/20 0.33
CES2 O00748 1/20 0.32
BCHE P06276 1/20 0.32
CES1 P23141 1/20 0.32
GPR84 Q9NQS5 2/20 0.32
AOC3 Q16853 1/20 0.32
FFAR1 O14842 1/20 0.32
IDO1 P14902 1/20 0.31
DAO P14920 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
SCHEMBL5536006 0.83 TAAR1 (0.56) TAAR1MPOGPR84AOC3IDO1
SCHEMBL7052559 0.80 TAAR1 (0.48) TAAR1AKR1B1CXCR2MPORIPK1
SCHEMBL4846504 0.80 TAAR1 (0.38) TAAR1AKR1B1CXCR2MPOGABRA1
SCHEMBL3556279 0.80 MEN1 (0.45) TAAR1AKR1B1CXCR2RIPK1CES2
SCHEMBL5541658 0.79 CES2 (0.39) TAAR1AKR1B1CXCR2MPORIPK1
SCHEMBL5608928 0.77 TAAR1 (0.41) TAAR1AKR1B1CXCR2MPORIPK1
SCHEMBL17748504 0.74 TAAR1 (0.48) TAAR1AKR1B1CXCR2MPORIPK1
SCHEMBL2210035 0.74 TAAR1 (0.67) TAAR1MPOSLC6A4HTR2AAOC3
SCHEMBL31061956 0.74 TAAR1 (0.67) TAAR1MPOSLC6A4HTR2AAOC3
SCHEMBL3246283 0.73 TAAR1 (0.35) TAAR1AKR1B1CXCR2MPOGABRA1

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 TAAR1 364/4885AKR1B1 495/4885CXCR2 579/4885

“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.