SCHEMBL22201082

SCHEMBL22201082

CC[S+]([O-])c1cc(OCCOC)cnc1-c1nc2cc(C(F)(F)F)ncc2n1C

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 1/20 0.31
▸ SCN10A Q9Y5Y9 1/20 0.31
▸ RORC P51449 2/20 0.31

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
SCHEMBL22201188 0.91 PTGS2 (0.31) —
SCHEMBL22201192 0.91 MAPT (0.34) —
SCHEMBL22201075 0.90 — —
SCHEMBL22201184 0.90 — —
SCHEMBL22201099 0.89 — —
SCHEMBL22201183 0.89 — —
SCHEMBL22201182 0.88 — —
SCHEMBL22201190 0.88 — —
SCHEMBL22201195 0.87 — —
SCHEMBL22201177 0.87 — —

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-20200216441-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2020-07-09 — — 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-20200216441-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS DDT, ACHE, SQOR SCN9A 471/4885SCN10A 1035/4885RORC 2525/4885

“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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