SCHEMBL31476295

SCHEMBL31476295

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

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.35
▸ PIK3C2A O00443 1/20 0.32
▸ PIK3C2B O00750 1/20 0.32
▸ PIK3CA P42336 1/20 0.32
▸ MTOR P42345 1/20 0.32
▸ PRKCE Q02156 1/20 0.31
▸ 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
SCHEMBL17529564 1.00 CYP1A2 (0.35) CYP1A2PIK3C2APIK3C2BPIK3CAMTOR
SCHEMBL31476269 1.00 CYP1A2 (0.35) CYP1A2PIK3C2APIK3C2BPIK3CAMTOR
SCHEMBL31476261 0.87 — —
SCHEMBL31476241 0.87 — —
SCHEMBL24285908 0.83 — —
SCHEMBL31476271 0.83 POLB (0.36) CYP1A2PRKCEALDH1A1
SCHEMBL31476225 0.83 POLB (0.36) CYP1A2PRKCEALDH1A1
SCHEMBL21586227 0.83 CYP1A2 (0.38) CYP1A2PIK3C2APIK3C2BPIK3CAMTOR
SCHEMBL30122232 0.83 CYP1A2 (0.38) CYP1A2PIK3C2APIK3C2BPIK3CAMTOR
SCHEMBL17529570 0.82 CYP1A2 (0.36) CYP1A2PIK3C2APIK3C2BPIK3CAMTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 348/4885PIK3C2A 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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