SCHEMBL21948897

SCHEMBL21948897

CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)ncc3n2C)sc2cc(C3CC3)sc12

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 1/20 0.34
▸ CNR2 P34972 5/20 0.31
▸ KCNH2 Q12809 2/20 0.30
▸ CYP11B1 P15538 1/20 0.30
▸ CYP11B2 P19099 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
SCHEMBL20547209 0.88 KCNH2 (0.32) RORCKCNH2
SCHEMBL21949322 0.88 KCNH2 (0.32) RORCKCNH2
SCHEMBL21948583 0.86 KCNH2 (0.32) RORCKCNH2
SCHEMBL21948704 0.84 RORC (0.32) RORCCNR2
SCHEMBL21948872 0.83 ADORA2A (0.33) RORCCNR2KCNH2
SCHEMBL24361061 0.80 RORC (0.32) RORCKCNH2
SCHEMBL21948991 0.80 KCNH2 (0.32) RORCKCNH2
SCHEMBL19299809 0.80 RORC (0.34) RORCCNR2KCNH2
SCHEMBL18179708 0.80 RORC (0.33) RORCCNR2KCNH2CYP11B1CYP11B2
SCHEMBL21875179 0.79 KCNH2 (0.33) RORCCNR2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200128830-A1 FUSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2020-04-30 — — 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-20200128830-A1 FUSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES DDT, ACHE, BCHE RORC 3617/4885CNR2 183/4885KCNH2 747/4885

“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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