SCHEMBL5536045

SCHEMBL5536045

CCCCCOCO[C]=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.42
MEN1 O00255 1/20 0.40
THRB P10828 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 1/20 0.40
CA1 P00915 6/20 0.35
CA2 P00918 6/20 0.35
CA9 Q16790 6/20 0.35
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
USP2 O75604 1/20 0.35
TSHR P16473 2/20 0.34
LPAR1 Q92633 2/20 0.34
LPAR3 Q9UBY5 2/20 0.34
LPAR2 Q9HBW0 1/20 0.34
NAAA Q02083 1/20 0.34
CA12 O43570 1/20 0.34
CA3 P07451 1/20 0.34
CA4 P22748 1/20 0.34

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
SCHEMBL5425604 0.98 CES2 (0.45) CES2MEN1THRBHTTKMT2A
SCHEMBL513839 0.93
SCHEMBL514888 0.83
SCHEMBL5428085 0.82 MEN1 (0.50) CES2MEN1THRBHTTKMT2A
SCHEMBL11907827 0.82 ALDH1A1 (0.33) ALDH1A1TSHR
SCHEMBL5539506 0.82 MEN1 (0.50) CES2MEN1THRBHTTKMT2A
SCHEMBL29282 0.80
SCHEMBL5482902 0.80 MEN1 (0.54) CES2MEN1THRBHTTKMT2A
SCHEMBL8362606 0.80 MEN1 (0.54) CES2MEN1THRBHTTKMT2A
SCHEMBL7209213 0.80 MEN1 (0.48) CES2MEN1THRBHTTKMT2A

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210309619-A1 ISOXAZOLIN-5-ONE DERIVATIVES AND HERBICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS HOKKO CHEMICAL INDUSTRY CO., LTD. (JP) 2021-10-07 US disclosed
US-11109593-B2 Isoxazolin-5-one derivative and herbicide containing same as active ingredient HOKKO CHEMICAL INDUSTRY CO., LTD. (JP) 2021-09-07 US disclosed
EP-3828176-A1 ISOXAZOLIN-5-ONE DERIVATIVE, AND HERBICIDE CONTAINING SAME AS ACTIVE INGREDIENT Hokko Chemical Industry Co., Ltd. (JP) 2021-06-02 EP disclosed
US-20200267985-A1 ISOXAZOLIN-5-ONE DERIVATIVE AND HERBICIDE CONTAINING SAME AS ACTIVE INGREDIENT HOKKO CHEMICAL INDUSTRY CO., LTD. (JP) 2020-08-27 US disclosed
WO-2020022350-A1 ISOXAZOLIN-5-ONE DERIVATIVE, AND HERBICIDE CONTAINING SAME AS ACTIVE INGREDIENT 北興化学工業株式会社 2020-01-30 WO disclosed
US-9128238-B2 Optical material and molded product thereof MITSUI CHEMICALS, INC. (JP) 2015-09-08 US disclosed
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
US-20130030136-A1 OPTICAL MATERIAL AND MOLDED PRODUCT THEREOF MITSUI CHEMICALS, INC. (JP) 2013-01-31 US 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
EP-1517881-A1 4-(3,3-DIHALO-ALLYLOXY)PHENOXY ALKYL DERIVATIVES Syngenta Participations AG (CH) 2005-03-30 EP disclosed
WO-2004002943-A1 4-(3,3-DIHALO-ALLYLOXY)PHENOXY ALKYL DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2004-01-08 WO disclosed
US-20020072500-A1 Hydroxy acid integrin antagonists PHARMACIA CORPORATION 2002-06-13 US 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 (5 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-20200267985-A1 ISOXAZOLIN-5-ONE DERIVATIVE AND HERBICIDE CONTAINING SAME AS ACTIVE INGREDIENT HAX1, CYP4X1, CANX CES2 91/4885MEN1 3838/4885THRB 2889/4885
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 CES2 3025/4885MEN1 3295/4885THRB 488/4885
US-20020072500-A1 Hydroxy acid integrin antagonists ITGA5, ITGB5, ITGA1 CES2 3754/4885MEN1 3891/4885THRB 673/4885
US-11109593-B2 Isoxazolin-5-one derivative and herbicide containing same as active ingredient HAX1, CYP4X1, CANX CES2 91/4885MEN1 3838/4885THRB 2889/4885
US-20210309619-A1 ISOXAZOLIN-5-ONE DERIVATIVES AND HERBICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS HAX1, CYP4X1, CNPY2 CES2 74/4885MEN1 4096/4885THRB 2890/4885

“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.