SCHEMBL20104424

SCHEMBL20104424

CCSc1cc(CC#N)ccc1C(=O)OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
HPGD P15428 4/20 0.41
MAPT P10636 4/20 0.41
KDM4E B2RXH2 4/20 0.41
HSD17B10 Q99714 3/20 0.41
GAA P10253 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
POLB P06746 1/20 0.40
NPC1 O15118 3/20 0.38
HTT P42858 2/20 0.38
LMNA P02545 1/20 0.38
TDP1 Q9NUW8 3/20 0.37
KMT2A Q03164 2/20 0.37
ABL1 P00519 1/20 0.36
RAB9A P51151 2/20 0.36
THRB P10828 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36

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
SCHEMBL29657373 1.00 ALDH1A1 (0.41) ALDH1A1HPGDMAPTKDM4EHSD17B10
SCHEMBL21577858 0.86 HSD17B10 (0.45) ALDH1A1HPGDMAPTKDM4EHSD17B10
SCHEMBL7563166 0.81 KDM4E (0.53) ALDH1A1HPGDMAPTKDM4EHSD17B10
SCHEMBL6705904 0.79 NPC1 (0.48) ALDH1A1HPGDMAPTKDM4EHSD17B10
SCHEMBL197734 0.79 ALDH1A1 (0.46) ALDH1A1HPGDMAPTKDM4EHSD17B10
SCHEMBL6707807 0.77 ALDH1A1 (0.45) ALDH1A1HPGDMAPTKDM4EHSD17B10
SCHEMBL20104460 0.76 L3MBTL1 (0.36) ALDH1A1HPGDMAPTKDM4EHSD17B10
SCHEMBL20104444 0.76 HSD17B10 (0.38) ALDH1A1HPGDMAPTKDM4EHSD17B10
SCHEMBL29657530 0.76 HSD17B10 (0.38) ALDH1A1HPGDMAPTKDM4EHSD17B10
SCHEMBL29657402 0.76 L3MBTL1 (0.36) ALDH1A1HPGDMAPTKDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230150944-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFOXIMINE CONTAINING SUBSTITUENTS SYNGENTA CROP PROTECTION AG (CH) 2023-05-18 US disclosed
US-20230150944-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFOXIMINE CONTAINING SUBSTITUENTS SYNGENTA CROP PROTECTION AG (CH) 2023-05-18 US disclosed
CN-109890818-B Pesticidally active heterocyclic derivatives with sulphur and hydroxylamine substituents 先正达参股股份有限公司 2022-11-25 CN disclosed
CN-114456164-A Pesticidally active heterocyclic derivatives with sulphur and hydroxylamine substituents 先正达参股股份有限公司 2022-05-10 CN 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
CN-112262140-A Pesticidally active heterocyclic derivatives with sulfoximine-containing substituents 先正达农作物保护股份公司 2021-01-22 CN disclosed
US-10889583-B2 Pesticidally active heterocyclic derivatives with sulphur and hydroxylamine substituents SYNGENTA PARTICIPATIONS AG (CH) 2021-01-12 US disclosed
WO-2019234158-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFOXIMINE CONTAINING SUBSTITUENTS SYNGENTA CROP PROTECTION AG (CH) 2019-12-12 WO disclosed
US-20190352299-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR AND HYDROXYLAMINE SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2019-11-21 US 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-20230150944-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFOXIMINE CONTAINING SUBSTITUENTS AADAC, ACHE, DDT ALDH1A1 115/4885HPGD 737/4885MAPT 4418/4885
US-20210053970-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR AND HYDROXYLAMINE SUBSTITUENTS DDT, SHMT1, ACHE ALDH1A1 235/4885HPGD 411/4885MAPT 1018/4885
US-10889583-B2 Pesticidally active heterocyclic derivatives with sulphur and hydroxylamine substituents DDT, ACHE, PNMT ALDH1A1 343/4885HPGD 320/4885MAPT 1014/4885
US-20190352299-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR AND HYDROXYLAMINE SUBSTITUENTS DDT, ACHE, PNMT ALDH1A1 343/4885HPGD 320/4885MAPT 1014/4885

“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.