SCHEMBL21999188

SCHEMBL21999188

CCNC(=O)c1ccc(S(C)(=O)=O)c(-c2nc3cc(C(F)(F)C(F)(F)F)nnc3n2C)n1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ DDR1 Q08345 1/20 0.33
▸ CNR1 P21554 1/20 0.31
▸ TYK2 P29597 1/20 0.31
▸ RORC P51449 1/20 0.30
▸ PDE2A O00408 3/20 0.30
▸ PDE10A Q9Y233 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
SCHEMBL21796211 0.93 DDR1 (0.38) DDR1CNR1RORCPDE2APDE10A
SCHEMBL21999360 0.93 DDR1 (0.37) DDR1CNR1TYK2
SCHEMBL21998970 0.90 PTPN1 (0.32) —
SCHEMBL21999183 0.86 MAPK14 (0.34) TYK2
SCHEMBL21998965 0.85 DDR1 (0.35) DDR1RORC
SCHEMBL21999338 0.83 SCN9A (0.34) DDR1PDE2A
SCHEMBL21796209 0.81 DDR1 (0.31) DDR1RORC
SCHEMBL29774756 0.81 DDR1 (0.31) DDR1RORC
SCHEMBL21998966 0.81 MAPK14 (0.33) DDR1CNR1RORC
SCHEMBL21998968 0.81 DDR1 (0.30) DDR1

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-11089783-B2 2-(het)aryl-substituted fused heterocycle derivatives as pesticides BAYER AKTIENGESELLSCHAFT (DE) 2021-08-17 — — US disclosed
US-20200146293-A1 2-(HET)ARYL-SUBSTITUTED FUSED HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2020-05-14 — — 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-11089783-B2 2-(het)aryl-substituted fused heterocycle derivatives as pesticides AHR, DDT, CYP8B1 DDR1 2201/4885CNR1 91/4885TYK2 4156/4885
US-20200146293-A1 2-(HET)ARYL-SUBSTITUTED FUSED HETEROCYCLE DERIVATIVES AS PESTICIDES AHR, DDT, CYP8B1 DDR1 2201/4885CNR1 91/4885TYK2 4156/4885

“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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