SCHEMBL17832781

SCHEMBL17832781

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

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.35
▸ CA9 Q16790 2/20 0.35
▸ CA1 P00915 2/20 0.35
▸ CA2 P00918 2/20 0.35
▸ PTGS2 P35354 11/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ CNR2 P34972 1/20 0.32
▸ PTGS1 P23219 5/20 0.31
▸ USP1 O94782 1/20 0.30
▸ OPRM1 P35372 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) CA12CA9CA1CA2PTGS2
SCHEMBL17824483 0.88 KCNH2 (0.33) CA12CA9CA1CA2PTGS2
SCHEMBL22190266 0.85 KCNH2 (0.34) CA12CA9CA1CA2KCNH2
SCHEMBL17832754 0.84 KCNH2 (0.35) CA12CA9CA1CA2KCNH2
SCHEMBL17494868 0.84 DDR1 (0.37) CA12CA9CA1CA2PTGS2
SCHEMBL30958299 0.84 DDR1 (0.37) CA12CA9CA1CA2PTGS2
SCHEMBL17824513 0.84 CA12 (0.36) CA12CA9CA1CA2PTGS2
SCHEMBL17832777 0.84 CA12 (0.34) CA12CA9CA1CA2PTGS2
SCHEMBL19678796 0.84 CNR2 (0.33) CA12CA9CA1CA2PTGS2
SCHEMBL21869852 0.83 CNR2 (0.32) CA12CA9CA1CA2CNR2

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 5 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-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
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 (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-20170349581-A1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS DDT, TST, ACHE CA12 3990/4885CA9 3012/4885CA1 1052/4885

“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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