SCHEMBL22190472

SCHEMBL22190472

N#Cc1ncccc1OCC(F)(F)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PLCG1 P19174 1/20 0.38
▸ ALOX5AP P20292 1/20 0.37
▸ FEN1 P39748 1/20 0.37
▸ SCN9A Q15858 6/20 0.36
▸ SCN5A Q14524 1/20 0.36
▸ CYP11B1 P15538 1/20 0.35
▸ SSTR4 P31391 1/20 0.31
▸ CTSS P25774 1/20 0.31
▸ CTSK P43235 1/20 0.31
▸ MBOAT4 Q96T53 1/20 0.31
▸ HSD11B1 P28845 1/20 0.31
▸ CACNA1H O95180 1/20 0.31
▸ GAA P10253 1/20 0.30
▸ SCN10A Q9Y5Y9 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
SCHEMBL7367679 0.87 PLCG1 (0.39) PLCG1ALOX5APFEN1SCN9ACYP11B1
SCHEMBL17984746 0.77 PLCG1 (0.41) PLCG1ALOX5APFEN1SCN9ACYP11B1
SCHEMBL18952555 0.76 LTA4H (0.51) SCN9ASCN5ASSTR4SCN10A
SCHEMBL1061776 0.75 CYP11B1 (0.40) PLCG1ALOX5APFEN1CYP11B1GAA
SCHEMBL28263826 0.75 CYP11B1 (0.40) PLCG1ALOX5APFEN1CYP11B1
SCHEMBL10221817 0.75 PKM (0.49) PLCG1CYP11B1
SCHEMBL27858859 0.75 CYP11B1 (0.40) PLCG1ALOX5APFEN1CYP11B1HSD11B1
SCHEMBL20626880 0.74 PLCG1 (0.32) PLCG1CTSSCTSKMBOAT4
SCHEMBL22198060 0.73 SCN9A (0.40) SCN9ASCN5ASSTR4CACNA1HSCN10A
SCHEMBL22552075 0.72 PDE5A (0.43) PLCG1CYP11B1CTSSCTSK

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 6 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
US-20220061324-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA CROP PROTECTION AG (CH) 2022-03-03 — — US disclosed
EP-3906239-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS Syngenta Crop Protection AG (CH) 2021-11-10 — — EP disclosed
CN-113348169-A Pesticidally active heterocyclic derivatives with sulfur-containing substituents 先正达农作物保护股份公司 2021-09-03 — — CN disclosed
WO-2020141136-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA CROP PROTECTION AG (CH) 2020-07-09 — — WO 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 PLCG1 1177/4885ALOX5AP 1755/4885FEN1 3825/4885

“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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