SCHEMBL22189328

SCHEMBL22189328

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

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 1/20 0.34
▸ ACSS2 Q9NR19 1/20 0.33
▸ GRIN2B Q13224 5/20 0.33
▸ GRIN1 Q05586 4/20 0.33
▸ IDH1 O75874 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.31
▸ PDK2 Q15119 1/20 0.31
▸ JUN P05412 1/20 0.30
▸ NFKB1 P19838 1/20 0.30
▸ NFKB2 Q00653 1/20 0.30
▸ RELA Q04206 1/20 0.30
▸ CNR2 P34972 1/20 0.30
▸ QRFPR Q96P65 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30
▸ POLB P06746 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
SCHEMBL22189261 0.90 CNR2 (0.32) CNR2
SCHEMBL22189584 0.89 MAPT (0.35) ACSS2ALDH1A1CNR2MAPK1SMN1; SMN2
SCHEMBL22189271 0.89 CNR2 (0.32) SCN9AJUNNFKB1NFKB2RELA
SCHEMBL22189297 0.87 RORC (0.31) SCN9ACNR2QRFPR
SCHEMBL22189626 0.87 RORC (0.31) SCN9ACNR2QRFPR
SCHEMBL22189405 0.87 RORC (0.34) SCN9ACNR2POLB
SCHEMBL22189256 0.86 CNR2 (0.33) CNR2
SCHEMBL22201181 0.86 CA2 (0.34) ALDH1A1CNR2MAPK1KMT2ASMN1; SMN2
SCHEMBL22189406 0.86 TP53 (0.32) SCN9AACSS2CNR2MAPK1KMT2A
SCHEMBL22189474 0.86 CNR2 (0.33) CNR2

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 SCN9A 471/4885ACSS2 2104/4885GRIN2B 952/4885

“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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