SCHEMBL18669141

SCHEMBL18669141

COC1=NOC(NC(=O)OC(C)(C)C)C1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.41
NFKB1 P19838 2/20 0.40
NFKB2 Q00653 2/20 0.40
RELA Q04206 2/20 0.40
BTK Q06187 1/20 0.36
EPHX2 P34913 1/20 0.35
CTSK P43235 2/20 0.34
KDM1A O60341 2/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MAOB P27338 1/20 0.33

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
SCHEMBL18669101 0.84 GAA (0.39) GAANFKB1NFKB2RELABTK
SCHEMBL18669148 0.81 GAA (0.43) GAANFKB1NFKB2RELABTK
SCHEMBL18669211 0.81 MTNR1A (0.34) CYP1A2CYP2D6
SCHEMBL20511809 0.81 LMNA (0.32) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL9826015 0.75 MIF (0.42) GAACTSK
SCHEMBL4949895 0.70 GAA (0.55) GAANFKB1NFKB2RELABTK
SCHEMBL26700057 0.70 NFKB1 (0.38) GAANFKB1NFKB2RELABTK
SCHEMBL571098 0.65 BTK (0.50) GAANFKB1NFKB2RELABTK
SCHEMBL20511852 0.65 CA1 (0.36) NFKB1NFKB2RELA
SCHEMBL20377683 0.64 GAA (0.56) GAANFKB1NFKB2RELABTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11213032-B2 Insecticidal compounds SYNGENTA PARTICIPATIONS AG (CH) 2022-01-04 US disclosed
US-11213032-B2 Insecticidal compounds SYNGENTA PARTICIPATIONS AG (CH) 2022-01-04 US disclosed
CN-108026090-B Isoxazoline substituted benzamides and analogs as pesticides 先正达参股股份有限公司 2021-10-26 CN disclosed
EP-3353172-B1 ISOXAZOLINE-SUBSTITUTED BENZAMIDES AND ANALOGUES AS INSECTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2021-02-24 EP disclosed
EP-3353172-B1 ISOXAZOLINE-SUBSTITUTED BENZAMIDES AND ANALOGUES AS INSECTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2021-02-24 EP disclosed
US-20200037613-A1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2020-02-06 US disclosed
US-20200037613-A1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2020-02-06 US disclosed
EP-3601280-A1 INSECTICIDAL COMPOUNDS Syngenta Participations AG (CH) 2020-02-05 EP disclosed
WO-2018172480-A1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2018-09-27 WO disclosed
US-20180271096-A1 ISOXAZOLINE-SUBSTITUTED BENZAMIDES AND ANALOGUES AS INSECTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2018-09-27 US disclosed
EP-3353172-A1 ISOXAZOLINE-SUBSTITUTED BENZAMIDES AND ANALOGUES AS INSECTICIDES Syngenta Participations AG (CH) 2018-08-01 EP disclosed
WO-2017050921-A1 ISOXAZOLINE-SUBSTITUTED BENZAMIDES AND ANALOGUES AS INSECTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2017-03-30 WO disclosed
WO-2017050921-A1 ISOXAZOLINE-SUBSTITUTED BENZAMIDES AND ANALOGUES AS INSECTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2017-03-30 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 (3 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-20180271096-A1 ISOXAZOLINE-SUBSTITUTED BENZAMIDES AND ANALOGUES AS INSECTICIDES CYP2E1, CYP3A7, CYP4X1 GAA 3261/4885NFKB1 3467/4885NFKB2 3932/4885
US-11213032-B2 Insecticidal compounds DDT, ACHE, CYP2E1 GAA 3099/4885NFKB1 1658/4885NFKB2 2273/4885
US-20200037613-A1 INSECTICIDAL COMPOUNDS DDT, ACHE, CYP2E1 GAA 2946/4885NFKB1 1430/4885NFKB2 2057/4885

“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.