SCHEMBL2011423

SCHEMBL2011423

CC(C)(C)OC(=O)N1CC(NS(=O)(=O)c2ccccc2[N+](=O)[O-])CO1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ THRB P10828 1/20 0.45
▸ DRD2 P14416 1/20 0.44
▸ ADRA1D P25100 1/20 0.44
▸ ADRA1A P35348 1/20 0.44
▸ ADRA1B P35368 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ MMP1 P03956 1/20 0.44
▸ MMP2 P08253 1/20 0.44
▸ MMP9 P14780 1/20 0.44
▸ MMP8 P22894 1/20 0.44
▸ MMP13 P45452 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ MAPT P10636 1/20 0.43
▸ TBXA2R P21731 2/20 0.42
▸ PKM P14618 1/20 0.42
▸ MET P08581 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL6166918 0.82 MEN1 (0.55) MEN1KMT2ATHRBDRD2ADRA1D
SCHEMBL31615446 0.82 MEN1 (0.55) MEN1KMT2ATHRBDRD2ADRA1D
SCHEMBL4122520 0.82 MEN1 (0.55) MEN1KMT2ATHRBDRD2ADRA1D
SCHEMBL31234802 0.82 MEN1 (0.60) MEN1KMT2ADRD2ADRA1DADRA1A
SCHEMBL2107778 0.82 MEN1 (0.60) MEN1KMT2ADRD2ADRA1DADRA1A
SCHEMBL12631808 0.82 CCR8 (0.39) NR1H2
SCHEMBL4107506 0.81 MEN1 (0.55) MEN1KMT2ATHRBDRD2ADRA1D
SCHEMBL18230360 0.81 MEN1 (0.58) MEN1KMT2ATHRBDRD2ADRA1D
SCHEMBL2014291 0.81 KMT2A (0.50) MEN1KMT2ATHRBDRD2ADRA1D
SCHEMBL2812403 0.80 MEN1 (0.49) MEN1KMT2ATHRBDRD2ADRA1D

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 17 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
US-20170152250-A1 INSECTICIDAL COMPOUNDS BASED ON ISOXAZOLINE DERIVATIVES SYNGENTA CROP PROTECTION LLC (US) 2017-06-01 — — US 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-9609869-B2 Insecticidal compounds based on isoxazoline derivatives SYNGENTA CROP PROTECTION, LLC (US) 2017-04-04 — — US disclosed
US-20140228577-A1 INSECTICIDAL COMPOUNDS BASED ON ISOXAZOLINE DERIVATIVES SYNGENTA CROP PROTECTION LLC (US) 2014-08-14 — — US disclosed
US-20140228577-A1 INSECTICIDAL COMPOUNDS BASED ON ISOXAZOLINE DERIVATIVES SYNGENTA CROP PROTECTION LLC (US) 2014-08-14 — — US disclosed
US-8735362-B2 Insecticidal compounds based on isoxazoline derivatives SYNGENTA CROP PROTECTION, LLC (US) 2014-05-27 — — US disclosed
US-8735362-B2 Insecticidal compounds based on isoxazoline derivatives SYNGENTA CROP PROTECTION, LLC (US) 2014-05-27 — — US 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
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 (8 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 MEN1 1478/4885KMT2A 2824/4885THRB 2807/4885
US-20200383330-A1 INSECTICIDAL COMPOUNDS BASED ON ISOXAZOLINE DERIVATIVES CYP4X1, NPY4R, CASP3 MEN1 2995/4885KMT2A 2510/4885THRB 1607/4885
US-20120238517-A1 INSECTICIDAL COMPOUNDS BASED ON ISOAZOLINE DERIVATIVES CHRM1, ACHE, CHRM2 MEN1 1178/4885KMT2A 2686/4885THRB 3772/4885
US-10206400-B2 Insecticidal compounds based on isoxazoline derivatives CHRM1, ACHE, CHRM2 MEN1 1478/4885KMT2A 2824/4885THRB 2807/4885
US-11357231-B2 Insecticidal compounds based on isoxazoline derivatives CYP4X1, NPY4R, CASP3 MEN1 2995/4885KMT2A 2510/4885THRB 1607/4885
US-20170152250-A1 INSECTICIDAL COMPOUNDS BASED ON ISOXAZOLINE DERIVATIVES CHRM1, ACHE, CHRM2 MEN1 1478/4885KMT2A 2824/4885THRB 2807/4885
US-10750745-B2 Insecticidal compounds based on isoxazoline derivatives CHRM1, ACHE, CHRM2 MEN1 1478/4885KMT2A 2824/4885THRB 2807/4885
US-20190166842-A1 INSECTICIDAL COMPOUNDS BASED ON ISOXAZOLINE DERIVATIVES CHRM1, ACHE, CHRM2 MEN1 1478/4885KMT2A 2824/4885THRB 2807/4885

“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.

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