SCHEMBL25226491

SCHEMBL25226491

CCSc1cc(OC(C)(C)C#N)ccc1-c1nc2cc(C(F)(F)F)nnc2n1C

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 1/20 0.33
▸ CYP11B1 P15538 1/20 0.30
▸ CYP11B2 P19099 1/20 0.30
▸ PDE2A O00408 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
SCHEMBL30437197 1.00 AR (0.33) ARCYP11B1CYP11B2PDE2A
SCHEMBL30436665 0.85 POLB (0.32) —
SCHEMBL25205520 0.85 POLB (0.32) —
SCHEMBL30122201 0.85 POLB (0.31) —
SCHEMBL25203596 0.85 POLB (0.31) —
SCHEMBL20482043 0.84 PDE10A (0.31) —
SCHEMBL25205049 0.84 DDR1 (0.33) CYP11B1CYP11B2PDE2A
SCHEMBL30177607 0.84 DDR1 (0.33) CYP11B1CYP11B2PDE2A
SCHEMBL17466030 0.82 NPC1 (0.32) —
SCHEMBL24313972 0.82 — —

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-20230167122-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA CROP PROTECTION AG (CH) 2023-06-01 — — 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-20230167122-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS DDT, AADAC, ACAA2 AR 3124/4885CYP11B1 510/4885CYP11B2 638/4885

“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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