SCHEMBL30122227

SCHEMBL30122227

CC[S@@](=N)(=O)c1cc(C(C)(C)C#N)cnc1-c1nc2cc(C(F)(F)F)cnc2n1C

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.42
▸ GAA P10253 1/20 0.32
▸ LRRK2 Q5S007 1/20 0.32
▸ PIK3CD O00329 1/20 0.31
▸ PIK3CA P42336 1/20 0.31
▸ MTOR P42345 1/20 0.31
▸ PIK3CG P48736 1/20 0.31
▸ ALOX5AP P20292 1/20 0.31
▸ FEN1 P39748 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 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
SCHEMBL24695961 1.00 POLB (0.42) POLBGAALRRK2PIK3CDPIK3CA
SCHEMBL24696107 1.00 POLB (0.42) POLBGAALRRK2PIK3CDPIK3CA
SCHEMBL16716432 0.93 POLB (0.47) POLBALOX5APFEN1ALDH1A1
SCHEMBL24695573 0.86 POLB (0.41) POLBGAA
SCHEMBL30122146 0.86 POLB (0.41) POLBGAA
SCHEMBL24696197 0.86 POLB (0.41) POLBGAA
SCHEMBL30122147 0.86 POLB (0.41) POLBGAA
SCHEMBL21586201 0.85 POLB (0.38) POLB
SCHEMBL24696189 0.85 POLB (0.38) POLB
SCHEMBL30122145 0.85 POLB (0.38) POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4347591-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFOXIMINE CONTAINING SUBSTITUENTS Syngenta Crop Protection AG (CH) 2024-04-10 — — EP claimed
WO-2022253841-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFOXIMINE CONTAINING SUBSTITUENTS SYNGENTA CROP PROTECTION AG (CH) 2022-12-08 — — WO claimed
WO-2025061707-A1 SYNTHESIS OF SULFOXIMINES CONTAINING A BENZIMIDAZOLE MOIETY SYNGENTA CROP PROTECTION AG (CH) 2025-03-27 — — WO disclosed
US-20250081967-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFOXIMINE CONTAINING SUBSTITUENTS SYNGENTA CROP PROTECTION AG (CH) 2025-03-13 — — US disclosed
EP-4347591-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFOXIMINE CONTAINING SUBSTITUENTS Syngenta Crop Protection AG (CH) 2024-04-10 — — EP disclosed
WO-2022253841-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFOXIMINE CONTAINING SUBSTITUENTS SYNGENTA CROP PROTECTION AG (CH) 2022-12-08 — — 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-20250081967-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFOXIMINE CONTAINING SUBSTITUENTS DDT, AADAC, SMOX POLB 4001/4885GAA 1306/4885LRRK2 1513/4885

“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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