SCHEMBL2528829

SCHEMBL2528829

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

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.40
MAPT P10636 2/20 0.39
AOC3 Q16853 1/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
STS P08842 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.37
LMNA P02545 3/20 0.37
TSHR P16473 1/20 0.37
MEN1 O00255 1/20 0.36
VDR P11473 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL2530985 0.92 AOC3 (0.39) GAAAOC3ALDH1A1STSL3MBTL1
SCHEMBL2530241 0.91 GAA (0.52) GAAMAPTAOC3ALDH1A1L3MBTL1
SCHEMBL2530437 0.91 TSHR (0.39) GAAAOC3ALDH1A1SMN1; SMN2TSHR
SCHEMBL2532575 0.87 KDM4E (0.38) GAAAOC3ALDH1A1SMN1; SMN2TSHR
SCHEMBL2528867 0.85 AOC3 (0.45) GAAMAPTAOC3ALDH1A1SMN1; SMN2
SCHEMBL2531669 0.83 AOC3 (0.43) GAAAOC3SMN1; SMN2L3MBTL1LMNA
SCHEMBL2530920 0.82 AURKA (0.39) GAAMAPTALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL2529179 0.81 MMP13 (0.36) AOC3MEN1KMT2A
SCHEMBL2530272 0.81 MMP13 (0.40) GAAAOC3ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL2527332 0.81 LMNA (0.39) GAAMAPTAOC3ALDH1A1SMN1; SMN2

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 GAA 4431/4885MAPT 2834/4885AOC3 2105/4885

“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.