SCHEMBL2528867

SCHEMBL2528867

COc1ccc(S(=O)(=O)Oc2ccc(C(O)CN(C)C(=O)OC(C)(C)C)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.45
EGFR P00533 4/20 0.40
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GAA P10253 1/20 0.38
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
RECQL P46063 1/20 0.37
KMT2A Q03164 1/20 0.37
ABL1 P00519 2/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
MMP13 P45452 3/20 0.36
MMP8 P22894 2/20 0.35
MMP12 P39900 2/20 0.35
MMP1 P03956 1/20 0.35

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
SCHEMBL2531669 0.97 AOC3 (0.43) AOC3EGFRLMNAHTTSMN1; SMN2
SCHEMBL2531504 0.91 EGFR (0.43) AOC3EGFRSMN1; SMN2ALDH1A1MEN1
SCHEMBL2529241 0.91 EGFR (0.40) AOC3EGFRHTTALDH1A1MEN1
SCHEMBL2529164 0.91 PPARG (0.44) EGFRHTTALDH1A1MEN1MAPT
SCHEMBL2532879 0.90 AKR1C3 (0.42) AOC3EGFRALDH1A1MEN1MAPT
SCHEMBL2526875 0.90 MEN1 (0.48) AOC3EGFRALDH1A1MEN1MAPT
SCHEMBL2526637 0.90 P2RX7 (0.40) AOC3EGFRALDH1A1MEN1MAPT
SCHEMBL2528584 0.90 MEN1 (0.45) AOC3EGFRTDP1ALDH1A1MEN1
SCHEMBL2529218 0.90 TDP1 (0.44) EGFRSMN1; SMN2TDP1ALDH1A1MEN1
SCHEMBL2528506 0.89 MEN1 (0.47) EGFRLMNASMN1; SMN2ALDH1A1MEN1

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 2105/4885EGFR 3070/4885LMNA 2981/4885

“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.