SCHEMBL2528446

SCHEMBL2528446

CN(CC(O)c1ccc(OS(=O)(=O)c2ccc(F)cc2F)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
AOC3 Q16853 2/20 0.36
HTR2C P28335 2/20 0.33
SLC6A4 P31645 2/20 0.33
HTR2A P28223 1/20 0.33
RIPK1 Q13546 2/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
AURKA O14965 2/20 0.33
RPS6KB1 P23443 2/20 0.33
PIK3C3 Q8NEB9 1/20 0.33
PDK2 Q15119 1/20 0.32
KCNH2 Q12809 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
MAPT P10636 1/20 0.31

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
SCHEMBL2526409 0.90 AOC3 (0.34) ALDH1A1AOC3HTR2CSLC6A4HTR2A
SCHEMBL2529175 0.89 ALDH1A1 (0.36) ALDH1A1AOC3HTR2CSLC6A4HTR2A
SCHEMBL2531743 0.88 AAK1 (0.35) AOC3MEN1KMT2AAURKARPS6KB1
SCHEMBL2526963 0.88 MEN1 (0.46) AOC3HTR2CSLC6A4RIPK1MEN1
SCHEMBL2530483 0.87 MMP13 (0.33) AOC3MEN1NPC1RAB9AKMT2A
SCHEMBL2532879 0.87 AKR1C3 (0.42) ALDH1A1AOC3MEN1KMT2AMAPT
SCHEMBL2528497 0.85 HTR6 (0.35) ALDH1A1AOC3RIPK1NPC1RAB9A
SCHEMBL2528461 0.85 EGFR (0.34) ALDH1A1AOC3RIPK1MEN1NPC1
SCHEMBL2529738 0.84 EGFR (0.36) ALDH1A1AOC3MEN1KMT2AAURKA
SCHEMBL2523211 0.84 AKR1C3 (0.40) ALDH1A1AOC3MEN1KMT2AMAPT

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 ALDH1A1 3248/4885AOC3 2105/4885HTR2C 1912/4885

“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.