SCHEMBL22189530

SCHEMBL22189530

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

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 4/20 0.32
▸ BRD4 O60885 1/20 0.31
▸ LRRK2 Q5S007 1/20 0.31
▸ PTGDR2 Q9Y5Y4 1/20 0.31
▸ DDR1 Q08345 1/20 0.30
▸ CNR2 P34972 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 0.91 CNR2 (0.31) RORCLRRK2PTGDR2CNR2
SCHEMBL22189639 0.91 PTGDR2 (0.37) RORCPTGDR2CNR2
SCHEMBL22189285 0.90 CNR2 (0.31) RORCPTGDR2CNR2
SCHEMBL20547522 0.89 GRM2 (0.35) BRD4CNR2
SCHEMBL22189297 0.88 RORC (0.31) RORCCNR2
SCHEMBL22201191 0.88 CNR2 (0.31) CNR2
SCHEMBL22189259 0.88 CNR2 (0.35) LRRK2DDR1CNR2
SCHEMBL22189295 0.88 CNR2 (0.33) LRRK2CNR2
SCHEMBL20547555 0.88 CNR2 (0.33) LRRK2CNR2
SCHEMBL22189298 0.87 CNR2 (0.33) LRRK2CNR2

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 RORC 2525/4885BRD4 4233/4885LRRK2 449/4885

“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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