SCHEMBL22683340

SCHEMBL22683340

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

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ QRFPR Q96P65 1/20 0.33
▸ CNR2 P34972 2/20 0.32
▸ RORC P51449 4/20 0.32
▸ GRM5 P41594 1/20 0.32
▸ GRIN1 Q05586 2/20 0.31
▸ GRIN2B Q13224 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ SIRT2 Q8IXJ6 1/20 0.30
▸ SIRT1 Q96EB6 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
SCHEMBL22977609 0.95 CNR2 (0.32) QRFPRCNR2RORC
SCHEMBL22683347 0.92 CNR2 (0.33) QRFPRCNR2RORC
SCHEMBL31091090 0.92 CNR2 (0.33) QRFPRCNR2RORC
SCHEMBL31091120 0.91 CNR2 (0.32) QRFPRCNR2RORCGRIN1GRIN2B
SCHEMBL22683354 0.91 CNR2 (0.32) QRFPRCNR2RORCGRIN1GRIN2B
SCHEMBL22977616 0.91 S1PR1 (0.31) CNR2RORC
SCHEMBL30958264 0.91 S1PR1 (0.31) CNR2RORC
SCHEMBL22683351 0.90 CNR2 (0.32) QRFPRCNR2GRIN1GRIN2BALDH1A1
SCHEMBL22683339 0.90 CNR2 (0.32) QRFPRCNR2RORCGRIN1GRIN2B
SCHEMBL22683322 0.90 CNR2 (0.32) QRFPRCNR2RORC

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210047291-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2021-02-18 — — US claimed
EP-3740485-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2020-11-25 — — EP claimed
US-20210047291-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2021-02-18 — — US disclosed
US-20210047291-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2021-02-18 — — 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-20210047291-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS DDT, AADAC, ACAA2 QRFPR 2442/4885CNR2 1438/4885RORC 2731/4885

“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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