SCHEMBL5540432

SCHEMBL5540432

[CH2]CCc1ccccc1C(=O)OCC

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.65
ALDH1A1 P00352 4/20 0.56
HSD17B10 Q99714 3/20 0.56
SCN1A P35498 2/20 0.48
SCN2A Q99250 2/20 0.48
SCN3A Q9NY46 2/20 0.48
CDC25B P30305 2/20 0.48
LMNA P02545 2/20 0.47
KDM4E B2RXH2 2/20 0.46
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
CYP3A4 P08684 2/20 0.44
CDC25A P30304 1/20 0.44
CDC25C P30307 1/20 0.44
USP2 O75604 1/20 0.44
CYP1A2 P05177 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C9 P11712 1/20 0.44

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
SCHEMBL9305075 0.90 TSHR (0.61) TSHRALDH1A1HSD17B10SCN1ASCN2A
SCHEMBL3022732 0.86 TSHR (0.69) TSHRALDH1A1HSD17B10CDC25BLMNA
SCHEMBL8733285 0.86 TSHR (0.69) TSHRALDH1A1HSD17B10SCN1ASCN2A
SCHEMBL578128 0.84 TSHR (0.77) TSHRALDH1A1HSD17B10CDC25BLMNA
SCHEMBL23183168 0.83 TSHR (0.65) TSHRALDH1A1HSD17B10SCN1ASCN2A
SCHEMBL1791133 0.83 TSHR (0.65) TSHRALDH1A1HSD17B10SCN1ASCN2A
SCHEMBL4257846 0.83 TSHR (0.65) TSHRALDH1A1HSD17B10SCN1ASCN2A
SCHEMBL6600799 0.83 TSHR (0.65) TSHRALDH1A1HSD17B10SCN1ASCN2A
SCHEMBL16672495 0.83 TSHR (0.65) TSHRALDH1A1HSD17B10SCN1ASCN2A
SCHEMBL8733284 0.83 TSHR (0.65) TSHRALDH1A1HSD17B10SCN1ASCN2A

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 10 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-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

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 355/4885HSD17B10 467/4885

“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.