SCHEMBL2010969

SCHEMBL2010969

CCN1OCC(NC(=O)OC(C)(C)C)C1=O

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.51
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
CTSK P43235 2/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
BTK Q06187 1/20 0.37
HCRTR2 O43614 1/20 0.36
F2 P00734 1/20 0.36
F10 P00742 1/20 0.36
PRSS1 P07477 1/20 0.36
EPHX2 P34913 1/20 0.35
DRD2 P14416 1/20 0.34
BRD4 O60885 2/20 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
SCHEMBL2010967 1.00 GAA (0.51) GAANFKB1NFKB2RELACTSK
SCHEMBL2011320 0.86 GAA (0.49) GAANFKB1NFKB2RELACTSK
SCHEMBL2011317 0.86 GAA (0.49) GAANFKB1NFKB2RELACTSK
SCHEMBL14844368 0.85 GAA (0.48) GAANFKB1NFKB2RELACTSK
SCHEMBL14845201 0.85 GAA (0.48) GAANFKB1NFKB2RELACTSK
SCHEMBL4760849 0.84 GAA (0.47) GAANFKB1NFKB2RELACTSK
SCHEMBL12274513 0.84 GAA (0.47) GAANFKB1NFKB2RELACTSK
SCHEMBL2015566 0.84 GAA (0.47) GAANFKB1NFKB2RELACTSK
SCHEMBL9908799 0.84 GAA (0.47) GAANFKB1NFKB2RELACTSK
SCHEMBL4760825 0.82 GAA (0.45) GAANFKB1NFKB2RELACTSK

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11357231-B2 Insecticidal compounds based on isoxazoline derivatives SYNGENTA CROP PROTECTION LLC (US) 2022-06-14 US disclosed
US-20200383330-A1 INSECTICIDAL COMPOUNDS BASED ON ISOXAZOLINE DERIVATIVES SYNGENTA CROP PROTECTION LLC (US) 2020-12-10 US disclosed
US-10750745-B2 Insecticidal compounds based on isoxazoline derivatives SYNGENTA CROP PROTECTION, LLC (US) 2020-08-25 US disclosed
US-20190166842-A1 INSECTICIDAL COMPOUNDS BASED ON ISOXAZOLINE DERIVATIVES SYNGENTA CROP PROTECTION LLC (US) 2019-06-06 US disclosed
US-10206400-B2 Insecticidal compounds based on isoxazoline derivatives SYNGENTA PARTICIPATIONS AG (CH) 2019-02-19 US disclosed
EP-2507230-B1 INSECTICIDAL COMPOUNDS BASED ON ISOXAZOLINE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2018-01-17 EP disclosed
US-20170152250-A1 INSECTICIDAL COMPOUNDS BASED ON ISOXAZOLINE DERIVATIVES SYNGENTA CROP PROTECTION LLC (US) 2017-06-01 US disclosed
US-9609869-B2 Insecticidal compounds based on isoxazoline derivatives SYNGENTA CROP PROTECTION, LLC (US) 2017-04-04 US disclosed
US-20140243375-A1 ISOXAZOLINE DERIVATIVES AS INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2014-08-28 US disclosed
US-20140228577-A1 INSECTICIDAL COMPOUNDS BASED ON ISOXAZOLINE DERIVATIVES SYNGENTA CROP PROTECTION LLC (US) 2014-08-14 US disclosed
EP-2763970-A1 ISOXAZOLINE DERIVATIVES AS INSECTICIDAL COMPOUNDS Syngenta Participations AG (CH) 2014-08-13 EP disclosed
US-8735362-B2 Insecticidal compounds based on isoxazoline derivatives SYNGENTA CROP PROTECTION, LLC (US) 2014-05-27 US disclosed
WO-2013050302-A1 ISOXAZOLINE DERIVATIVES AS INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2013-04-11 WO disclosed
EP-2507230-A1 INSECTICIDAL COMPOUNDS BASED ON ISOXAZOLINE DERIVATIVES Syngenta Participations AG (CH) 2012-10-10 EP disclosed
US-20120238517-A1 INSECTICIDAL COMPOUNDS BASED ON ISOAZOLINE DERIVATIVES SYNGENTA CROP PROTECTION LLC (US) 2012-09-20 US disclosed
WO-2011067272-A1 INSECTICIDAL COMPOUNDS BASED ON ISOXAZOLINE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2011-06-09 WO 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 (9 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-20140228577-A1 INSECTICIDAL COMPOUNDS BASED ON ISOXAZOLINE DERIVATIVES CHRM1, ACHE, CHRM2 GAA 2177/4885NFKB1 4041/4885NFKB2 4445/4885
US-20200383330-A1 INSECTICIDAL COMPOUNDS BASED ON ISOXAZOLINE DERIVATIVES CYP4X1, NPY4R, CASP3 GAA 3220/4885NFKB1 4058/4885NFKB2 3830/4885
US-20120238517-A1 INSECTICIDAL COMPOUNDS BASED ON ISOAZOLINE DERIVATIVES CHRM1, ACHE, CHRM2 GAA 2738/4885NFKB1 3342/4885NFKB2 4230/4885
US-20140243375-A1 ISOXAZOLINE DERIVATIVES AS INSECTICIDAL COMPOUNDS CBR3, CYCS, NOX3 GAA 4256/4885NFKB1 4544/4885NFKB2 4382/4885
US-10206400-B2 Insecticidal compounds based on isoxazoline derivatives CHRM1, ACHE, CHRM2 GAA 2177/4885NFKB1 4041/4885NFKB2 4445/4885
US-11357231-B2 Insecticidal compounds based on isoxazoline derivatives CYP4X1, NPY4R, CASP3 GAA 3220/4885NFKB1 4058/4885NFKB2 3830/4885
US-20170152250-A1 INSECTICIDAL COMPOUNDS BASED ON ISOXAZOLINE DERIVATIVES CHRM1, ACHE, CHRM2 GAA 2177/4885NFKB1 4041/4885NFKB2 4445/4885
US-10750745-B2 Insecticidal compounds based on isoxazoline derivatives CHRM1, ACHE, CHRM2 GAA 2177/4885NFKB1 4041/4885NFKB2 4445/4885
US-20190166842-A1 INSECTICIDAL COMPOUNDS BASED ON ISOXAZOLINE DERIVATIVES CHRM1, ACHE, CHRM2 GAA 2177/4885NFKB1 4041/4885NFKB2 4445/4885

“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.