SCHEMBL22683320

SCHEMBL22683320

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

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MLYCD O95822 1/20 0.33
▸ CNR2 P34972 2/20 0.32
▸ DDR1 Q08345 2/20 0.30
▸ NR1H2 P55055 2/20 0.30
▸ NR1H3 Q13133 2/20 0.30
▸ QRFPR Q96P65 1/20 0.30
▸ S1PR1 P21453 1/20 0.30
▸ RORC P51449 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
SCHEMBL30958228 1.00 MLYCD (0.33) MLYCDCNR2DDR1NR1H2NR1H3
SCHEMBL22977603 0.93 CNR2 (0.31) CNR2RORC
SCHEMBL30958279 0.93 CNR2 (0.32) CNR2DDR1QRFPRRORC
SCHEMBL22683322 0.93 CNR2 (0.32) CNR2DDR1QRFPRRORC
SCHEMBL22683347 0.90 CNR2 (0.33) CNR2DDR1QRFPRRORC
SCHEMBL31091090 0.90 CNR2 (0.33) CNR2DDR1QRFPRRORC
SCHEMBL22977609 0.90 CNR2 (0.32) CNR2QRFPRRORC
SCHEMBL22683340 0.90 QRFPR (0.33) CNR2QRFPRRORC
SCHEMBL22683354 0.90 CNR2 (0.32) CNR2QRFPRRORC
SCHEMBL31091120 0.90 CNR2 (0.32) CNR2QRFPRRORC

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 MLYCD 147/4885CNR2 1438/4885DDR1 4441/4885

“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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