SCHEMBL22683319

SCHEMBL22683319

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

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 2/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ S1PR1 P21453 1/20 0.31
▸ RORC P51449 2/20 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
SCHEMBL30958219 1.00 CNR2 (0.31) CNR2NPC1RAB9AS1PR1RORC
SCHEMBL31091090 0.89 CNR2 (0.33) CNR2RORC
SCHEMBL22683347 0.89 CNR2 (0.33) CNR2RORC
SCHEMBL22683312 0.89 CNR2 (0.31) CNR2NPC1RAB9ARORC
SCHEMBL30958281 0.89 CNR2 (0.31) CNR2NPC1RAB9ARORC
SCHEMBL22683336 0.87 CNR2 (0.32) CNR2RORC
SCHEMBL30958258 0.87 CNR2 (0.32) CNR2RORC
SCHEMBL22683320 0.87 MLYCD (0.33) CNR2S1PR1RORC
SCHEMBL30958228 0.87 MLYCD (0.33) CNR2S1PR1RORC
SCHEMBL22977613 0.86 RORC (0.34) CNR2RORC

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 CNR2 1438/4885NPC1 4003/4885RAB9A 2888/4885

“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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