SCHEMBL2531669

SCHEMBL2531669

COc1ccc(-c2ccc(S(=O)(=O)Oc3ccc(C(O)CN(C)C(=O)OC(C)(C)C)cc3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.43
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
EGFR P00533 1/20 0.39
MMP13 P45452 7/20 0.38
MMP1 P03956 6/20 0.38
MMP3 P08254 6/20 0.38
MMP9 P14780 6/20 0.38
MMP8 P22894 6/20 0.38
MMP2 P08253 6/20 0.38
MMP14 P50281 3/20 0.38
MMP12 P39900 2/20 0.38
MMP16 P51512 2/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
MMP7 P09237 3/20 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
SCHEMBL2528867 0.97 AOC3 (0.45) AOC3MEN1KMT2AEGFRMMP13
SCHEMBL2523211 0.91 AKR1C3 (0.40) AOC3MEN1KMT2AEGFRMMP13
SCHEMBL2529861 0.91 MEN1 (0.42) AOC3MEN1KMT2AEGFRADAMTS4
SCHEMBL2529241 0.89 EGFR (0.40) AOC3MEN1KMT2AEGFRMMP13
SCHEMBL2529164 0.89 PPARG (0.44) MEN1KMT2AEGFRMMP13HTT
SCHEMBL2531504 0.89 EGFR (0.43) AOC3MEN1KMT2AEGFRMMP13
SCHEMBL2527392 0.88 APEX1 (0.47) MEN1KMT2AEGFRADAMTS4
SCHEMBL2532879 0.88 AKR1C3 (0.42) AOC3MEN1KMT2AEGFRMMP13
SCHEMBL2528584 0.88 MEN1 (0.45) AOC3MEN1KMT2AEGFRMMP13
SCHEMBL2526637 0.88 P2RX7 (0.40) AOC3MEN1KMT2AEGFRMMP13

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 2105/4885MEN1 1126/4885KMT2A 2317/4885

“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.