SCHEMBL30402347

SCHEMBL30402347

CCS(=N)(=O)c1cc(C2(C#N)CC2)ccc1-c1nc2cc(SC(F)(F)F)ncc2n1C

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ PIK3C2A O00443 1/20 0.32
▸ PIK3C2B O00750 1/20 0.32
▸ PIK3CA P42336 1/20 0.32
▸ MTOR P42345 1/20 0.32

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
SCHEMBL21586182 1.00 CYP1A2 (0.32) CYP1A2ALDH1A1PIK3C2APIK3C2BPIK3CA
SCHEMBL30122069 0.88 CYP1A2 (0.35) CYP1A2ALDH1A1PIK3C2APIK3C2BPIK3CA
SCHEMBL21586223 0.88 CYP1A2 (0.35) CYP1A2ALDH1A1PIK3C2APIK3C2BPIK3CA
SCHEMBL30402935 0.88 CYP1A2 (0.35) CYP1A2ALDH1A1PIK3C2APIK3C2BPIK3CA
SCHEMBL30122353 0.88 CYP1A2 (0.35) CYP1A2ALDH1A1PIK3C2APIK3C2BPIK3CA
SCHEMBL21586204 0.84 CYP1A2 (0.35) CYP1A2PIK3C2APIK3C2BPIK3CAMTOR
SCHEMBL30970961 0.84 CYP1A2 (0.35) CYP1A2PIK3C2APIK3C2BPIK3CAMTOR
SCHEMBL25517849 0.83 AGPAT2 (0.38) CYP1A2ALDH1A1PIK3CA
SCHEMBL25517947 0.82 CYP1A2 (0.32) CYP1A2PIK3C2APIK3C2BPIK3CAMTOR
SCHEMBL21586224 0.80 POLB (0.38) CYP1A2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3802542-B1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFOXIMINE CONTAINING SUBSTITUENTS SYNGENTA CROP PROTECTION AG (CH) 2025-05-28 — — EP disclosed
US-20230150944-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFOXIMINE CONTAINING SUBSTITUENTS SYNGENTA CROP PROTECTION AG (CH) 2023-05-18 — — 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-20230150944-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFOXIMINE CONTAINING SUBSTITUENTS AADAC, ACHE, DDT CYP1A2 337/4885ALDH1A1 115/4885PIK3C2A 2483/4885

“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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