SCHEMBL2531743

SCHEMBL2531743

CN(CC(O)c1ccc(OS(=O)(=O)c2cc(F)c(Br)cc2F)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.35
MMP13 P45452 1/20 0.32
PDK2 Q15119 1/20 0.31
AOC3 Q16853 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
AURKA O14965 1/20 0.31
RPS6KB1 P23443 1/20 0.31
SSTR4 P31391 1/20 0.30
KAT6A Q92794 1/20 0.30
KAT5 Q92993 1/20 0.30

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
SCHEMBL2528446 0.88 ALDH1A1 (0.39) PDK2AOC3MEN1KMT2AAURKA
SCHEMBL2528492 0.86 MEN1 (0.32) AAK1MMP13PDK2MEN1KMT2A
SCHEMBL2531098 0.84 NPSR1 (0.40) MMP13PDK2AOC3MEN1KMT2A
SCHEMBL2526963 0.84 MEN1 (0.46) MMP13PDK2AOC3MEN1KMT2A
SCHEMBL2528461 0.83 EGFR (0.34) MMP13PDK2AOC3MEN1KMT2A
SCHEMBL2530483 0.83 MMP13 (0.33) MMP13PDK2AOC3MEN1KMT2A
SCHEMBL2529738 0.82 EGFR (0.36) MMP13PDK2AOC3MEN1KMT2A
SCHEMBL2532853 0.82 AURKA (0.34) MMP13PDK2AOC3MEN1KMT2A
SCHEMBL2528887 0.82 MEN1 (0.34) AAK1MMP13PDK2AOC3MEN1
SCHEMBL2528203 0.82 AOC3 (0.34) MMP13PDK2AOC3KAT6AKAT5

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 AAK1 2130/4885MMP13 231/4885PDK2 934/4885

“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.