SCHEMBL2530985

SCHEMBL2530985

COc1ccc(S(=O)(=O)Oc2ccc(C(O)CN(C)C(=O)OC(C)(C)C)cc2)c(OC)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.39
MMP7 P09237 1/20 0.37
RAPGEF3 O95398 1/20 0.34
AURKA O14965 1/20 0.34
RPS6KB1 P23443 1/20 0.34
GAA P10253 2/20 0.34
LMNA P02545 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
STS P08842 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CNR1 P21554 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33

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
SCHEMBL2528829 0.92 GAA (0.40) AOC3GAALMNAL3MBTL1STS
SCHEMBL2530920 0.88 AURKA (0.39) AURKARPS6KB1GAALMNAL3MBTL1
SCHEMBL2528867 0.85 AOC3 (0.45) AOC3MMP7GAALMNAL3MBTL1
SCHEMBL2530241 0.85 GAA (0.52) AOC3GAALMNAL3MBTL1KDM4E
SCHEMBL2530437 0.85 TSHR (0.39) AOC3GAAKDM4EALDH1A1
SCHEMBL2532575 0.85 KDM4E (0.38) AOC3GAAKDM4EALDH1A1
SCHEMBL2531669 0.83 AOC3 (0.43) AOC3MMP7GAALMNAL3MBTL1
SCHEMBL2528064 0.82 ALDH1A1 (0.39) AOC3GAAL3MBTL1ALDH1A1
SCHEMBL2528446 0.82 ALDH1A1 (0.39) AOC3AURKARPS6KB1ALDH1A1
SCHEMBL2525203 0.82 ALDH1A1 (0.37) AOC3GAAALDH1A1

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-8039501-B2 Synephrine derivatives useful as anti-inflammatory agents UNIVERSITEIT GENT (BE) 2011-10-18 US disclosed
US-20090029999-A1 Synephrine derivatives useful as anti-inflammatory agents UNIVERSITEIT GENT (BE) 2009-01-29 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-20090029999-A1 Synephrine derivatives useful as anti-inflammatory agents HRH1, HRH3, HRH2 AOC3 2105/4885MMP7 242/4885RAPGEF3 3202/4885

“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.