SCHEMBL20547491

SCHEMBL20547491

CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)ncc3n2C)sc2c(Br)csc12

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.33
▸ CA12 O43570 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ PTGS2 P35354 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
SCHEMBL29581433 1.00 KCNH2 (0.33) KCNH2CA12CA1CA2CA9
SCHEMBL21949317 0.91 KCNH2 (0.32) KCNH2
SCHEMBL21948581 0.90 KCNH2 (0.31) KCNH2
SCHEMBL24361053 0.88 KCNH2 (0.30) KCNH2
SCHEMBL21875185 0.88 S1PR1 (0.33) —
SCHEMBL29599154 0.88 S1PR1 (0.33) —
SCHEMBL21875169 0.87 KCNH2 (0.31) KCNH2
SCHEMBL21875156 0.87 KCNH2 (0.33) KCNH2PTGS2
SCHEMBL21948704 0.87 RORC (0.32) —
SCHEMBL29599914 0.87 KCNH2 (0.33) KCNH2PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3615540-B1 CONDENSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER AG (DE) 2022-04-27 — — EP disclosed
EP-3615540-B1 CONDENSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER AG (DE) 2022-04-27 — — EP disclosed
US-20200128830-A1 FUSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2020-04-30 — — US disclosed
US-20200128830-A1 FUSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2020-04-30 — — US disclosed
EP-3615540-A1 CONDENSED BICYCLIC HETEROCYCLIC-COMPOUND DERIVATIVES AS PEST CONTROL AGENTS Bayer Aktiengesellschaft (DE) 2020-03-04 — — EP disclosed
WO-2018197257-A1 CONDENSED BICYCLIC HETEROCYCLIC-COMPOUND DERIVATIVES AS PEST CONTROL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2018-11-01 — — 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-20200128830-A1 FUSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES DDT, ACHE, BCHE KCNH2 747/4885CA12 2058/4885CA1 263/4885

“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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