SCHEMBL17824483

SCHEMBL17824483

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

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.33
▸ CA12 O43570 2/20 0.33
▸ CA9 Q16790 2/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CNR2 P34972 1/20 0.32
▸ PTGS2 P35354 3/20 0.31
▸ USP1 O94782 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
SCHEMBL17824432 0.92 CNR2 (0.35) KCNH2CA12CA9CA1CA2
SCHEMBL17832781 0.88 CA12 (0.35) KCNH2CA12CA9CA1CA2
SCHEMBL19684513 0.87 LRRK2 (0.33) CNR2
SCHEMBL22190266 0.85 KCNH2 (0.34) KCNH2CA12CA9CA1CA2
SCHEMBL17824429 0.84 S1PR1 (0.31) —
SCHEMBL17824513 0.84 CA12 (0.36) KCNH2CA12CA9CA1CA2
SCHEMBL17832777 0.84 CA12 (0.34) KCNH2CA12CA9CA1CA2
SCHEMBL19678796 0.84 CNR2 (0.33) KCNH2CA12CA9CA1CA2
SCHEMBL17824491 0.83 S1PR1 (0.31) CA12CA9CA1CA2
SCHEMBL17824402 0.83 JAK1 (0.34) CA9CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3230284-B1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2020-04-15 — — EP disclosed
EP-3230284-B1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2020-04-15 — — EP disclosed
US-10308650-B2 Pesticidally active tetracyclic derivatives with sulfur containing substituents SYNGENTA PARTICIPATIONS AG (CH) 2019-06-04 — — US disclosed
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
US-20170349581-A1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATION AG (CH) 2017-12-07 — — US disclosed
US-20170349581-A1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATION AG (CH) 2017-12-07 — — US disclosed
EP-3230284-A1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS Syngenta Participations AG (CH) 2017-10-18 — — EP disclosed
WO-2016091731-A1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2016-06-16 — — WO disclosed
WO-2016091731-A1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2016-06-16 — — WO 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 KCNH2 2409/4885CA12 3990/4885CA9 3012/4885
US-20170349581-A1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS DDT, TST, ACHE KCNH2 2409/4885CA12 3990/4885CA9 3012/4885

“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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