SCHEMBL7537258

SCHEMBL7537258

COc1ccc(SS(=O)(=O)c2ccc(OC)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 1/20 0.62
PKM P14618 4/20 0.57
ALDH1A1 P00352 2/20 0.50
BCHE P06276 1/20 0.50
ACHE P22303 1/20 0.50
CA1 P00915 3/20 0.48
CA2 P00918 3/20 0.48
MMP1 P03956 1/20 0.48
MMP2 P08253 1/20 0.48
MMP9 P14780 1/20 0.48
MMP8 P22894 1/20 0.48
MMP13 P45452 1/20 0.48
GAA P10253 1/20 0.48
NPC1 O15118 1/20 0.47
PKLR P30613 1/20 0.47
RAB9A P51151 1/20 0.47
FFAR4 Q5NUL3 1/20 0.46
PTGS2 P35354 1/20 0.44
F2 P00734 1/20 0.44
PRSS1 P07477 1/20 0.44

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
SCHEMBL9018891 0.91 DNMT1 (0.52) DNMT1PKMALDH1A1BCHEACHE
SCHEMBL8731355 0.81 PKM (0.64) PKMALDH1A1BCHEACHECA1
Potassium Ion SCHEMBL9353503 0.80 PKM (0.52) PKMALDH1A1CA1CA2MMP1
SCHEMBL28643138 0.78 ALDH1A1 (0.50) PKMALDH1A1CA1CA2MMP1
SCHEMBL3917191 0.77 DNMT1 (1.00) DNMT1ALDH1A1BCHEACHECA1
SCHEMBL31221518 0.74 HTT (0.44) PKMALDH1A1MMP2MMP8MMP13
SCHEMBL286762 0.74 PKM (0.67) PKMALDH1A1CA1CA2MMP1
SCHEMBL10763646 0.74 PKM (0.67) PKMALDH1A1CA1CA2MMP1
SCHEMBL23843882 0.73 CA1 (0.46) PKMALDH1A1ACHECA1CA2
SCHEMBL13074716 0.73 PKM (1.00) PKMALDH1A1CA1CA2MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020151570-A1 Thiosulfonic acid S-esters as agents for protecting material BAYER AKTIENGESELLSCHAFT (DE) 2002-10-17 US claimed
CN-114213298-B Method for preparing thiosulfonate compound by directly oxidizing thiophenol 南昌大学 2022-12-06 CN disclosed
CN-114213298-A Method for preparing thiosulfonate compound by directly oxidizing thiophenol 南昌大学 2022-03-22 CN 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-20020151570-A1 Thiosulfonic acid S-esters as agents for protecting material TST, STS, SULT1E1 DNMT1 4115/4885PKM 4132/4885ALDH1A1 203/4885

“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.