SCHEMBL5879494

SCHEMBL5879494

C=CCOc1ccc(S(=O)(=O)c2ccc(OCC=C)cc2)cc1.O=S(=O)(c1ccc(O)cc1)c1ccc(O)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.63
CA1 P00915 1/20 0.63
CA2 P00918 1/20 0.63
CA7 P43166 1/20 0.63
CA9 Q16790 1/20 0.63
GAA P10253 6/20 0.54
PKM P14618 2/20 0.54
ALDH1A1 P00352 3/20 0.49
ELANE P08246 1/20 0.47
POLB P06746 2/20 0.45
SLC5A1 P13866 1/20 0.45
SLC5A2 P31639 1/20 0.45
KAT6A Q92794 1/20 0.43
MGAM O43451 3/20 0.43
SI P14410 3/20 0.43
MGAM2 Q2M2H8 3/20 0.43
ALDH2 P05091 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL26900 1.00 CA12 (0.63) CA12CA1CA2CA7CA9
SCHEMBL536507 0.91 CA12 (0.73) CA12CA1CA2CA7CA9
SCHEMBL51114 0.86 PKM (0.58) CA12CA1CA2CA7CA9
SCHEMBL50901 0.86 PKM (0.58) CA12CA1CA2CA7CA9
SCHEMBL51566 0.86 PKM (0.58) CA12CA1CA2CA7CA9
SCHEMBL50900 0.86 PKM (0.58) CA12CA1CA2CA7CA9
SCHEMBL51420 0.86 PKM (0.58) CA12CA1CA2CA7CA9
SCHEMBL261038 0.86 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL536345 0.84 GAA (0.50) CA12CA1CA2CA7CA9
SCHEMBL13990670 0.84 CA12 (0.59) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7141684-B2 Diepoxide derivatives of diallyl phenolics PEWS R GARTH 2006-11-28 US disclosed
US-20050090673-A1 Novel diepoxide derivatives of diallyl phenolics PEWS R G (US) 2005-04-28 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-20050090673-A1 Novel diepoxide derivatives of diallyl phenolics EBP, EED, ESR2 CA12 3997/4885CA1 3815/4885CA2 3977/4885

“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.