SCHEMBL30122353

SCHEMBL30122353

CC[S@](=N)(=O)c1cc(C2(C#N)CC2)ccc1-c1nc2cc(C(F)(F)F)ncc2n1C

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.35
▸ S1PR1 P21453 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ PIK3C2A O00443 1/20 0.33
▸ PIK3C2B O00750 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ MTOR P42345 1/20 0.33
▸ TRPM8 Q7Z2W7 1/20 0.31
▸ PRKCE Q02156 1/20 0.30
▸ OPRM1 P35372 1/20 0.30
▸ LRRK2 Q5S007 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
SCHEMBL30122069 1.00 CYP1A2 (0.35) CYP1A2S1PR1ALDH1A1PIK3C2APIK3C2B
SCHEMBL21586223 1.00 CYP1A2 (0.35) CYP1A2S1PR1ALDH1A1PIK3C2APIK3C2B
SCHEMBL30402935 1.00 CYP1A2 (0.35) CYP1A2S1PR1ALDH1A1PIK3C2APIK3C2B
SCHEMBL17529570 0.92 CYP1A2 (0.36) CYP1A2S1PR1ALDH1A1PIK3C2APIK3C2B
SCHEMBL30402347 0.88 CYP1A2 (0.32) CYP1A2ALDH1A1PIK3C2APIK3C2BPIK3CA
SCHEMBL21586182 0.88 CYP1A2 (0.32) CYP1A2ALDH1A1PIK3C2APIK3C2BPIK3CA
SCHEMBL24695537 0.87 S1PR1 (0.33) S1PR1PIK3C2APIK3C2BPIK3CAMTOR
SCHEMBL30122167 0.87 S1PR1 (0.33) S1PR1PIK3C2APIK3C2BPIK3CAMTOR
SCHEMBL30122216 0.87 S1PR1 (0.33) S1PR1PIK3C2APIK3C2BPIK3CAMTOR
SCHEMBL25517849 0.86 AGPAT2 (0.38) CYP1A2S1PR1ALDH1A1PIK3CATRPM8

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 3 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

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 CYP1A2 348/4885S1PR1 862/4885ALDH1A1 197/4885

“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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