SCHEMBL22198060

SCHEMBL22198060

NCc1ncccc1OCC(F)(F)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 9/20 0.40
▸ SCN5A Q14524 2/20 0.40
▸ SSTR4 P31391 3/20 0.36
▸ SCN10A Q9Y5Y9 1/20 0.33
▸ CACNA1G O43497 2/20 0.32
▸ CACNA1H O95180 2/20 0.32
▸ LTA4H P09960 1/20 0.32
▸ MAPK14 Q16539 1/20 0.32
▸ LOXL2 Q9Y4K0 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ L3MBTL1 Q9Y468 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
Hydrochloric Acid SCHEMBL22190485 0.98 SCN9A (0.39) SCN9ASCN5ASSTR4SCN10ACACNA1G
SCHEMBL7371029 0.87 MAPT (0.42) SCN9ASSTR4CACNA1GCACNA1HLOXL2
Hydrochloric Acid SCHEMBL7370046 0.85 MAPT (0.41) SCN9ASSTR4CACNA1GCACNA1HLOXL2
SCHEMBL18952555 0.80 LTA4H (0.51) SCN9ASCN5ASSTR4SCN10ALTA4H
SCHEMBL16240815 0.78 SLC40A1 (0.37) SCN9ASSTR4LTA4HMAPK14LOXL2
SCHEMBL30554705 0.74 ALDH1A1 (0.47) ALDH1A1L3MBTL1
SCHEMBL17778295 0.74 ALDH1A1 (0.47) ALDH1A1L3MBTL1
SCHEMBL22190472 0.73 PLCG1 (0.38) SCN9ASCN5ASSTR4SCN10ACACNA1H
SCHEMBL4475474 0.72 PLAU (0.47) LOXL2ALDH1A1L3MBTL1
SCHEMBL21730199 0.71 LOX (0.45) LTA4HMAPK14ALDH1A1L3MBTL1

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-20220061324-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA CROP PROTECTION AG (CH) 2022-03-03 — — US disclosed
WO-2020141136-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA CROP PROTECTION AG (CH) 2020-07-09 — — WO 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-20220061324-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS DDT, ACHE, AADAC SCN9A 3886/4885SCN5A 1722/4885SSTR4 3572/4885

“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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