SCHEMBL17710447

SCHEMBL17710447

COc1cc(OC)c(CSS(=O)(=O)c2ccc(C)cc2)c(OC)c1

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 10/20 0.63
▸ ACHE P22303 10/20 0.63
▸ G6PD P11413 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ DNMT1 P26358 1/20 0.39

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
SCHEMBL17722483 0.83 BCHE (0.64) BCHEACHEG6PDALDH1A1KDM4E
SCHEMBL17718253 0.78 ACHE (0.57) BCHEACHEG6PDALDH1A1DNMT1
SCHEMBL6954550 0.78 ACHE (1.00) BCHEACHEG6PDALDH1A1
SCHEMBL28412674 0.78 PAX8 (0.46) BCHEACHEALDH1A1KDM4EGAA
SCHEMBL8434517 0.77 BCHE (0.72) BCHEACHEG6PD
SCHEMBL6964287 0.75 BCHE (0.59) BCHEACHEG6PD
SCHEMBL6956970 0.73 BCHE (0.65) BCHEACHEG6PDALDH1A1GAA
SCHEMBL15618825 0.72 ALDH1A1 (0.60) ALDH1A1KDM4E
SCHEMBL6959190 0.71 BCHE (0.83) BCHEACHEG6PDALDH1A1GAA
SCHEMBL29462463 0.71 ALDH1A1 (0.46) BCHEACHEALDH1A1KDM4EGAA

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-20160122383-A1 Peptide Ligation THE UNIVERSITY OF SYDNEY (AU) 2016-05-05 — — US disclosed
US-20160122383-A1 Peptide Ligation THE UNIVERSITY OF SYDNEY (AU) 2016-05-05 — — US disclosed
US-20160122383-A1 Peptide Ligation THE UNIVERSITY OF SYDNEY (AU) 2016-05-05 — — US 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-20160122383-A1 Peptide Ligation PTMS, PTMA, QPCTL BCHE 1323/4885ACHE 3052/4885G6PD 4712/4885

“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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