SCHEMBL17529601

SCHEMBL17529601

CCS(=O)(=O)c1cc(C(C)(C)C#N)cnc1C(=O)OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 3/20 0.41
MAPT P10636 2/20 0.34
GABRA1 P14867 2/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
GABRA5 P31644 2/20 0.34
GABRA3 P34903 2/20 0.34
KDM4E B2RXH2 2/20 0.34
GMNN O75496 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
POLB P06746 1/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
NFKB1 P19838 1/20 0.34
APEX1 P27695 1/20 0.34
MAPK1 P28482 1/20 0.34
CASP1 P29466 1/20 0.34
GABRA2 P47869 1/20 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
SCHEMBL30490809 1.00 RORC (0.41) RORCMAPTGABRA1GABRG2GABRB3
SCHEMBL20819256 0.86 RORC (0.39) RORCCYP11B2
SCHEMBL20482168 0.86 RORC (0.39) RORCEGLN1CYP11B2
SCHEMBL20483745 0.85 RORC (0.38) RORCCYP11B2DDR1
SCHEMBL17941430 0.83 NOTUM (0.43) MAPTALDH1A1LMNAPOLBMAPK1
SCHEMBL29679554 0.83 NOTUM (0.43) MAPTALDH1A1LMNAPOLBMAPK1
SCHEMBL20819267 0.82 RORC (0.37) RORCCYP11B2
SCHEMBL20104512 0.79 L3MBTL1 (0.35) RORCMAPTGABRA1GABRG2GABRB3
SCHEMBL29657413 0.79 L3MBTL1 (0.35) RORCMAPTGABRA1GABRG2GABRB3
SCHEMBL17514084 0.79 PKM (0.36) RORCMAPTGABRA1GABRG2GABRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116804010-A Pesticidally active heterocyclic derivatives with sulfur containing substituents 先正达参股股份有限公司 2023-09-26 CN disclosed
CN-110312707-B Pesticidally active heterocyclic derivatives with sulfur containing substituents 先正达参股股份有限公司 2023-06-23 CN disclosed
US-11440910-B2 Pesticidally active heterocyclic derivatives with sulfur containing substituents SYNGENTA PARTICIPATIONS AG (CH) 2022-09-13 US disclosed
EP-3585770-B1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2022-03-23 EP disclosed
EP-3585770-B1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2022-03-23 EP 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
WO-2018153778-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2018-08-30 WO disclosed
WO-2016026848-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2016-02-25 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 (1 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-11440910-B2 Pesticidally active heterocyclic derivatives with sulfur containing substituents DDT, ACHE, SQOR RORC 2377/4885MAPT 418/4885GABRA1 1019/4885

“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.