SCHEMBL29814294

SCHEMBL29814294

CCS(=O)(=O)c1cc(NC)c(Br)nc1-c1nc2cc(C(F)(F)F)ncc2n1C

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 1/20 0.35
▸ CNR2 P34972 1/20 0.32
▸ S1PR1 P21453 2/20 0.32
▸ RORC P51449 2/20 0.32
▸ KCNH2 Q12809 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
SCHEMBL20633529 1.00 LRRK2 (0.35) LRRK2CNR2S1PR1RORCKCNH2
SCHEMBL20633516 0.90 LRRK2 (0.39) LRRK2CNR2S1PR1RORCKCNH2
SCHEMBL17832756 0.88 MAPT (0.32) CNR2RORC
SCHEMBL17832754 0.87 KCNH2 (0.35) CNR2KCNH2
SCHEMBL31561431 0.85 S1PR1 (0.35) LRRK2CNR2S1PR1RORCKCNH2
SCHEMBL20632976 0.83 LRRK2 (0.35) LRRK2CNR2S1PR1RORCKCNH2
SCHEMBL30958306 0.83 PTGS2 (0.33) LRRK2CNR2S1PR1RORCKCNH2
SCHEMBL17422452 0.83 PTGS2 (0.33) LRRK2CNR2S1PR1RORCKCNH2
SCHEMBL19684513 0.83 LRRK2 (0.33) LRRK2CNR2S1PR1RORC
SCHEMBL20633539 0.80 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3649118-B1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2024-08-28 — — EP disclosed
CN-110891949-B Pesticidally active heterocyclic derivatives with sulfur containing substituents 先正达参股股份有限公司 2023-05-23 — — CN disclosed
US-11399542-B2 Pesticidally active heterocyclic derivatives with sulfur containing substituents SYNGENTA PARTICIPATIONS AG (CH) 2022-08-02 — — 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-11399542-B2 Pesticidally active heterocyclic derivatives with sulfur containing substituents DDT, CHRM1, ACHE LRRK2 203/4885CNR2 786/4885S1PR1 1577/4885

“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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