SCHEMBL5540852

SCHEMBL5540852

CCCCCNCCCCCCOC=O

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.54
ALDH1A1 P00352 1/20 0.54
EPHX1 P07099 7/20 0.50
ADH1B P00325 2/20 0.50
ADH1C P00326 2/20 0.50
ADH1A P07327 2/20 0.50
ADH7 P40394 2/20 0.50
ADH4 P08319 1/20 0.50
S1PR2 O95136 5/20 0.46
S1PR4 O95977 5/20 0.46
S1PR1 P21453 5/20 0.46
S1PR3 Q99500 5/20 0.46
S1PR5 Q9H228 1/20 0.46
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38

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
SCHEMBL5540551 1.00 TSHR (0.54) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL6199529 1.00 TSHR (0.54) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL6201052 1.00 TSHR (0.54) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL6198021 0.94 TSHR (0.50) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL5546229 0.89 PAOX (0.45) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL10600362 0.89 TSHR (0.56) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL55804 0.89 TSHR (0.46) TSHREPHX1ADH1BADH1CADH1A
SCHEMBL156980 0.89 TSHR (0.46) TSHREPHX1ADH1BADH1CADH1A
SCHEMBL77313 0.89 TSHR (0.46) TSHREPHX1ADH1BADH1CADH1A
Hexyl Formate SCHEMBL59493 0.89

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 TSHR 319/4885ALDH1A1 355/4885EPHX1 4071/4885

“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.