SCHEMBL22189285

SCHEMBL22189285

CCS(=O)(=O)c1cc(OC(C)(C)C(N)=O)cnc1-c1nc2cc(C(F)(F)F)ncc2n1C

nearest known ligand 0.31

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 1/20 0.31
▸ JAK2 O60674 1/20 0.31
▸ JAK1 P23458 1/20 0.31
▸ TYK2 P29597 1/20 0.31
▸ JAK3 P52333 1/20 0.31
▸ EGLN1 Q9GZT9 2/20 0.31
▸ KCNH2 Q12809 1/20 0.30
▸ RORC P51449 1/20 0.30
▸ PTGDR2 Q9Y5Y4 2/20 0.30
▸ MAOB P27338 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
SCHEMBL22189381 0.92 CNR2 (0.31) CNR2RORCPTGDR2
SCHEMBL22189639 0.92 PTGDR2 (0.37) CNR2EGLN1RORCPTGDR2
SCHEMBL22201191 0.91 CNR2 (0.31) CNR2KCNH2
SCHEMBL20547522 0.90 GRM2 (0.35) CNR2
SCHEMBL22189297 0.90 RORC (0.31) CNR2RORC
SCHEMBL22189530 0.90 RORC (0.32) CNR2RORCPTGDR2
SCHEMBL20547555 0.89 CNR2 (0.33) CNR2KCNH2
SCHEMBL22189295 0.89 CNR2 (0.33) CNR2KCNH2
SCHEMBL22189259 0.89 CNR2 (0.35) CNR2EGLN1KCNH2
SCHEMBL22189507 0.88 CNR2 (0.32) CNR2

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-20200216441-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2020-07-09 — — US disclosed
US-20200216441-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2020-07-09 — — 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-20200216441-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS DDT, ACHE, SQOR CNR2 2169/4885JAK2 3864/4885JAK1 3183/4885

“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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