SCHEMBL30122167

SCHEMBL30122167

CC[S@@](=N)(=O)c1cc(C2(C#N)CC2)cnc1-c1nc2cc(C(F)(F)F)ncc2n1C

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 2/20 0.33
▸ PIK3C2A O00443 1/20 0.30
▸ PIK3C2B O00750 1/20 0.30
▸ PIK3CA P42336 1/20 0.30
▸ MTOR P42345 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
SCHEMBL30122216 1.00 S1PR1 (0.33) S1PR1PIK3C2APIK3C2BPIK3CAMTOR
SCHEMBL24695537 1.00 S1PR1 (0.33) S1PR1PIK3C2APIK3C2BPIK3CAMTOR
SCHEMBL17529566 0.91 S1PR1 (0.32) S1PR1PIK3C2APIK3C2BPIK3CAMTOR
SCHEMBL30402935 0.87 CYP1A2 (0.35) S1PR1PIK3C2APIK3C2BPIK3CAMTOR
SCHEMBL30122069 0.87 CYP1A2 (0.35) S1PR1PIK3C2APIK3C2BPIK3CAMTOR
SCHEMBL30122219 0.87 DRD2 (0.31) —
SCHEMBL30122353 0.87 CYP1A2 (0.35) S1PR1PIK3C2APIK3C2BPIK3CAMTOR
SCHEMBL21586223 0.87 CYP1A2 (0.35) S1PR1PIK3C2APIK3C2BPIK3CAMTOR
SCHEMBL21586186 0.87 DRD2 (0.31) —
SCHEMBL30122083 0.87 DRD2 (0.31) —

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 5 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
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 S1PR1 862/4885PIK3C2A 1992/4885PIK3C2B 2548/4885

“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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