SCHEMBL20104426

SCHEMBL20104426

CCSc1cc(C(C)(C)C#N)cnc1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRIA4 P48058 2/20 0.36
CYP11B2 P19099 1/20 0.32
AADAT Q8N5Z0 1/20 0.31
EGLN1 Q9GZT9 4/20 0.31
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL29657418 1.00 GRIA4 (0.36) GRIA4CYP11B2AADATEGLN1ALDH1A1
SCHEMBL28927035 0.90 GAA (0.35) GRIA4CYP11B2ALDH1A1GAAMAPK1
SCHEMBL24313904 0.88 CYP11B2 (0.31) GRIA4CYP11B2
SCHEMBL30585520 0.88 CYP11B2 (0.35) GRIA4CYP11B2
SCHEMBL28962121 0.86 CYP11B2 (0.30) CYP11B2
SCHEMBL29657413 0.86 L3MBTL1 (0.35) CYP11B2AADATEGLN1ALDH1A1GAA
SCHEMBL20104512 0.86 L3MBTL1 (0.35) CYP11B2AADATEGLN1ALDH1A1GAA
SCHEMBL15868335 0.82 AGBL2 (0.35) EGLN1ALDH1A1
SCHEMBL25268395 0.82
SCHEMBL30107058 0.82

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
US-12152024-B2 Pesticidally active heterocyclic derivatives with sulphur and hydroxylamine substituents SYNGENTA CROP PROTECTION AG (CH) 2024-11-26 US disclosed
EP-3585770-B1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2022-03-23 EP disclosed
EP-3532471-B1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR AND HYDROXYLAMINE SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2021-09-15 EP disclosed
US-20210053970-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR AND HYDROXYLAMINE SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2021-02-25 US disclosed
US-20210053970-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR AND HYDROXYLAMINE SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2021-02-25 US disclosed
US-10889583-B2 Pesticidally active heterocyclic derivatives with sulphur and hydroxylamine substituents SYNGENTA PARTICIPATIONS AG (CH) 2021-01-12 US disclosed
US-20190352299-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR AND HYDROXYLAMINE SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2019-11-21 US disclosed
CN-110312707-A Pesticidally active heterocyclic derivatives with sulphur containing substituents 先正达参股股份有限公司 2019-10-08 CN disclosed
CN-109890818-A PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR AND HYDROXYLAMINE SUBSTITUENTS 先正达参股股份有限公司 2019-06-14 CN disclosed
WO-2018077565-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR AND HYDROXYLAMINE SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2018-05-03 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 (4 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-20210053970-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR AND HYDROXYLAMINE SUBSTITUENTS DDT, SHMT1, ACHE GRIA4 1268/4885CYP11B2 64/4885AADAT 889/4885
US-10889583-B2 Pesticidally active heterocyclic derivatives with sulphur and hydroxylamine substituents DDT, ACHE, PNMT GRIA4 1276/4885CYP11B2 52/4885AADAT 1064/4885
US-12152024-B2 Pesticidally active heterocyclic derivatives with sulphur and hydroxylamine substituents DDT, SHMT1, ACHE GRIA4 1268/4885CYP11B2 64/4885AADAT 889/4885
US-20190352299-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR AND HYDROXYLAMINE SUBSTITUENTS DDT, ACHE, PNMT GRIA4 1276/4885CYP11B2 52/4885AADAT 1064/4885

“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.