SCHEMBL21715819

SCHEMBL21715819

CCc1ccc(-c2nc(-c3nc4cc(C(F)(F)F)ncc4n3C)c(S(=O)(=O)CC)n2C)cc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 2/20 0.39
▸ CA2 P00918 2/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ KCNH2 Q12809 1/20 0.37
▸ PTGS2 P35354 8/20 0.36
▸ PTGS1 P23219 5/20 0.36
▸ RORC P51449 4/20 0.36
▸ ALPI P09923 1/20 0.35
▸ USP1 O94782 1/20 0.35
▸ PTGDR2 Q9Y5Y4 1/20 0.35
▸ PPARG P37231 1/20 0.35

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
SCHEMBL20393710 0.90 PTGS2 (0.42) CA1CA2CA12CA9KCNH2
SCHEMBL20393708 0.90 PTGS2 (0.40) CA1CA2CA12CA9KCNH2
SCHEMBL20393875 0.90 CA1 (0.36) CA1CA2CA12CA9KCNH2
SCHEMBL21715691 0.89 CA1 (0.39) CA1CA2CA12CA9KCNH2
SCHEMBL20393848 0.89 MEN1 (0.39) CA1CA2CA12CA9KCNH2
SCHEMBL20393612 0.88 S1PR1 (0.44) CA1CA2CA12CA9KCNH2
SCHEMBL20393695 0.87 KCNH2 (0.38) CA1CA2CA12CA9KCNH2
SCHEMBL21715816 0.86 CA1 (0.36) CA1CA2CA12CA9KCNH2
SCHEMBL20393759 0.86 CA12 (0.34) CA1CA2CA12CA9KCNH2
SCHEMBL20393764 0.85 CA12 (0.34) CA1CA2CA12CA9KCNH2

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-11083199-B2 Heterocycle derivatives as pesticides BAYER AKTIENGESELLSCHAFT (DE) 2021-08-10 — — US disclosed
US-20200045976-A1 HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-02-13 — — 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-11083199-B2 Heterocycle derivatives as pesticides DDT, CBR3, CBR1 CA1 1147/4885CA2 1444/4885CA12 3994/4885
US-20200045976-A1 HETEROCYCLE DERIVATIVES AS PESTICIDES DDT, CBR3, CBR1 CA1 1147/4885CA2 1444/4885CA12 3994/4885

“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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