SCHEMBL22189300

SCHEMBL22189300

CCS(=O)(=O)c1cc(OC(C)(C)C(N)=O)ccc1-c1nc2cc(C(F)(F)F)ncc2n1C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 2/20 0.33
▸ HTT P42858 2/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ CA12 O43570 2/20 0.31
▸ CA9 Q16790 2/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ RORC P51449 2/20 0.31
▸ GPR84 Q9NQS5 1/20 0.31
▸ USP1 O94782 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ DDR1 Q08345 3/20 0.30
▸ PPARD Q03181 1/20 0.30
▸ BRS3 P32247 1/20 0.30
▸ JAK2 O60674 1/20 0.30
▸ JAK1 P23458 1/20 0.30
▸ TYK2 P29597 1/20 0.30
▸ JAK3 P52333 1/20 0.30
▸ AGPAT2 O15120 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
SCHEMBL22189269 0.89 CNR2 (0.35) HTTCNR2CA12CA9CA1
SCHEMBL22189285 0.87 CNR2 (0.31) PTGDR2CNR2RORCJAK2JAK1
SCHEMBL22189643 0.86 CNR2 (0.33) PTGDR2CNR2CA12CA9CA1
SCHEMBL22189517 0.86 S1PR1 (0.35) PTGDR2HTTCNR2CA12CA9
SCHEMBL20547579 0.85 CNR2 (0.34) HTTCNR2CA12CA9CA1
SCHEMBL22189255 0.84 S1PR1 (0.33) PTGDR2HTTCNR2CA12CA9
SCHEMBL20547494 0.84 CNR2 (0.34) HTTCNR2CA12CA9CA1
SCHEMBL20547523 0.84 CNR2 (0.34) HTTCNR2CA12CA9CA1
SCHEMBL22189306 0.83 PTGES (0.34) HTTCNR2CA12CA9CA1
SCHEMBL20547541 0.82 CNR2 (0.34) HTTCNR2CA12CA9CA1

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-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 PTGDR2 2278/4885HTT 1428/4885CNR2 2169/4885

“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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