SCHEMBL22189327

SCHEMBL22189327

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

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 1/20 0.32
▸ PTGES O14684 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ NR1H2 P55055 1/20 0.30
▸ NR1H3 Q13133 1/20 0.30
▸ S1PR1 P21453 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
SCHEMBL22189302 0.93 CNR2 (0.32) CNR2NR1H2NR1H3S1PR1
SCHEMBL22189584 0.91 MAPT (0.35) CNR2LMNAHTTNR1H2NR1H3
SCHEMBL16389589 0.90 CNR2 (0.32) CNR2LMNAHPGDHTTS1PR1
SCHEMBL22189256 0.90 CNR2 (0.33) CNR2
SCHEMBL22189282 0.89 S1PR1 (0.33) CNR2LMNAHPGDHTTS1PR1
SCHEMBL22189474 0.89 CNR2 (0.33) CNR2
SCHEMBL22189603 0.89 CNR2 (0.33) CNR2
SCHEMBL22189629 0.89 PTGS2 (0.35) CNR2LMNAHTTNR1H2NR1H3
SCHEMBL22189359 0.88 CNR2 (0.32) CNR2
SCHEMBL22189289 0.88 CNR2 (0.34) CNR2LMNAHTT

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 CNR2 2169/4885PTGES 476/4885LMNA 4380/4885

“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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