SCHEMBL21616877

SCHEMBL21616877

CS(=O)(=O)CCCCCCCN=C=S

nearest known ligand 0.96

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.96
LMNA P02545 1/20 0.96
TP53 P04637 1/20 0.96
NAAA Q02083 3/20 0.54
KEAP1 Q14145 5/20 0.50
NFE2L2 Q16236 5/20 0.50
GSK3B P49841 1/20 0.50
TRPA1 O75762 7/20 0.48
MIF P14174 4/20 0.48
BACH1 O14867 1/20 0.47
MAFK O60675 1/20 0.47
EGFR P00533 1/20 0.47
PTGS2 P35354 1/20 0.47

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
SCHEMBL14933788 1.00 ALDH1A1 (0.96) ALDH1A1LMNATP53NAAAKEAP1
SCHEMBL25332003 1.00 ALDH1A1 (0.96) ALDH1A1LMNATP53NAAAKEAP1
SCHEMBL21616875 1.00 ALDH1A1 (0.96) ALDH1A1LMNATP53NAAAKEAP1
SCHEMBL14797843 1.00 ALDH1A1 (0.96) ALDH1A1LMNATP53NAAAKEAP1
SCHEMBL938891 1.00 ALDH1A1 (0.96) ALDH1A1LMNATP53NAAAKEAP1
Erysolin SCHEMBL437996 0.98 ALDH1A1 (1.00) ALDH1A1LMNATP53NAAAKEAP1
SCHEMBL1688838 0.91 ALDH1A1 (0.88) ALDH1A1LMNATP53NAAAKEAP1
SCHEMBL18225463 0.82
SCHEMBL21616871 0.82 ALDH1A1 (0.66) ALDH1A1LMNATP53NAAAKEAP1
SCHEMBL7560077 0.81 ALDH1A1 (0.64) ALDH1A1LMNATP53NAAAKEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3820290-B1 FUNGICIDES TO PREVENT AND CONTROL FUNGAL PATHOGENS UNIV LAUSANNE (CH) 2025-07-02 EP disclosed
US-12167731-B2 Fungicides to prevent and control fungal pathogens UNIVERSITE DE LAUSANNE (CH) 2024-12-17 US disclosed
CN-112469279-B Fungicides for the prevention and control of fungal pathogens 洛桑大学 2022-05-31 CN disclosed
EP-3820290-A1 FUNGICIDES TO PREVENT AND CONTROL FUNGAL PATHOGENS Université de Lausanne (CH) 2021-05-19 EP disclosed
CN-112469279-A Fungicides for the prevention and control of fungal pathogens 洛桑大学 2021-03-09 CN disclosed
WO-2020011750-A1 FUNGICIDES TO PREVENT AND CONTROL FUNGAL PATHOGENS Université de Lausanne (CH) 2020-01-16 WO disclosed
WO-2020011750-A1 FUNGICIDES TO PREVENT AND CONTROL FUNGAL PATHOGENS Université de Lausanne (CH) 2020-01-16 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-12167731-B2 Fungicides to prevent and control fungal pathogens ERG28, STS, GBA3 ALDH1A1 3260/4885LMNA 4561/4885TP53 4563/4885

“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.