SCHEMBL22714353

SCHEMBL22714353

CC(=O)C1(C)CC(c2cc([N+](=O)[O-])c(F)cc2Cl)=NO1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 4/20 0.41
▸ CA2 P00918 4/20 0.41
▸ ESPL1 Q14674 1/20 0.34
▸ ITGB1 P05556 2/20 0.34
▸ ITGA4 P13612 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ AKR1B1 P15121 1/20 0.32
▸ CA12 O43570 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ F10 P00742 1/20 0.32
▸ HSP90AA1 P07900 1/20 0.32
▸ PGR P06401 1/20 0.32
▸ CRBN Q96SW2 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HIF1A Q16665 1/20 0.31

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
SCHEMBL29438166 1.00 CA1 (0.41) CA1CA2ESPL1ITGB1ITGA4
SCHEMBL29438157 0.86 MAPT (0.38) CA1CA2ITGB1ITGA4LMNA
SCHEMBL21635547 0.86 MAPT (0.38) CA1CA2ITGB1ITGA4LMNA
SCHEMBL22714339 0.83 MAPT (0.36) CA1CA2ESPL1LMNAMAPT
SCHEMBL29438153 0.83 MAPT (0.36) CA1CA2ESPL1LMNAMAPT
SCHEMBL21635540 0.82 ESPL1 (0.37) CA1CA2ESPL1LMNAMAPT
SCHEMBL22714376 0.81 CA1 (0.44) CA1CA2ITGB1ITGA4F10
SCHEMBL25166774 0.80 AKR1B1 (0.36) CA1CA2ESPL1ITGB1ITGA4
SCHEMBL22714393 0.79 CA1 (0.32) CA1CA2ESPL1AKR1B1NPC1
SCHEMBL30899562 0.79 CA1 (0.32) CA1CA2ESPL1AKR1B1NPC1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12202821-B2 Herbicidal compounds SYNGENTA CROP PROTECTION AG (CH) 2025-01-21 — — US disclosed
CN-118084888-A Herbicidal compounds 先正达农作物保护股份公司 2024-05-28 — — CN disclosed
CN-113874368-B Herbicidal compounds 先正达农作物保护股份公司 2024-03-08 — — CN disclosed
EP-3976603-B1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2023-11-15 — — EP disclosed
US-20220227744-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2022-07-21 — — US disclosed
EP-3976603-A1 HERBICIDAL COMPOUNDS Syngenta Crop Protection AG (CH) 2022-04-06 — — EP disclosed
CN-113874368-A Herbicidal compounds 先正达农作物保护股份公司 2021-12-31 — — CN disclosed
WO-2020239607-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2020-12-03 — — 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 (2 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-20220227744-A1 HERBICIDAL COMPOUNDS DDT, ACHE, GSTO1 CA1 677/4885CA2 257/4885ESPL1 4307/4885
US-12202821-B2 Herbicidal compounds DDT, ACHE, GSTO1 CA1 677/4885CA2 257/4885ESPL1 4307/4885

“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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