SCHEMBL19684513

SCHEMBL19684513

CCS(=O)(=O)c1cc(NC)c(I)cc1-c1nc2cc(C(F)(F)F)ncc2n1C

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 1/20 0.33
▸ S1PR1 P21453 2/20 0.32
▸ RORC P51449 2/20 0.32
▸ CNR2 P34972 1/20 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
SCHEMBL17824429 0.90 S1PR1 (0.31) S1PR1
SCHEMBL17824402 0.89 JAK1 (0.34) S1PR1RORC
SCHEMBL17824491 0.89 S1PR1 (0.31) S1PR1
SCHEMBL17824423 0.88 MAPT (0.32) RORC
SCHEMBL17824483 0.87 KCNH2 (0.33) CNR2
SCHEMBL20633516 0.84 LRRK2 (0.39) LRRK2S1PR1RORCCNR2
SCHEMBL20633529 0.83 LRRK2 (0.35) LRRK2S1PR1RORCCNR2
SCHEMBL29814294 0.83 LRRK2 (0.35) LRRK2S1PR1RORCCNR2
SCHEMBL19684776 0.83 PTGS2 (0.35) LRRK2S1PR1RORCCNR2
SCHEMBL17824489 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10308650-B2 Pesticidally active tetracyclic derivatives with sulfur containing substituents SYNGENTA PARTICIPATIONS AG (CH) 2019-06-04 — — US disclosed
US-20170349581-A1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATION AG (CH) 2017-12-07 — — 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 (2 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-10308650-B2 Pesticidally active tetracyclic derivatives with sulfur containing substituents DDT, TST, ACHE LRRK2 336/4885S1PR1 2300/4885RORC 1490/4885
US-20170349581-A1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS DDT, TST, ACHE LRRK2 336/4885S1PR1 2300/4885RORC 1490/4885

“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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