SCHEMBL2532853

SCHEMBL2532853

CN(CC(O)c1ccc(OS(=O)(=O)c2c(F)cccc2F)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AURKA O14965 3/20 0.34
RPS6KB1 P23443 3/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
BACE1 P56817 4/20 0.34
AOC3 Q16853 2/20 0.33
MMP13 P45452 1/20 0.33
MET P08581 1/20 0.33
CDK9 P50750 1/20 0.33
PDK2 Q15119 1/20 0.33
RIPK1 Q13546 1/20 0.32
GPR88 Q9GZN0 1/20 0.32

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
SCHEMBL2526963 0.90 MEN1 (0.46) MEN1NPC1RAB9AKMT2ASENP8
SCHEMBL2528203 0.89 AOC3 (0.34) AOC3MMP13PDK2GPR88
SCHEMBL2529167 0.88 AOC3 (0.36) MEN1KMT2ABACE1AOC3MMP13
SCHEMBL2528497 0.85 HTR6 (0.35) AURKARPS6KB1NPC1RAB9ABACE1
SCHEMBL2528461 0.84 EGFR (0.34) AURKARPS6KB1MEN1NPC1RAB9A
SCHEMBL2530483 0.84 MMP13 (0.33) AURKARPS6KB1MEN1NPC1RAB9A
SCHEMBL2532879 0.84 AKR1C3 (0.42) MEN1KMT2AAOC3MMP13
SCHEMBL2529218 0.84 TDP1 (0.44) MEN1NPC1RAB9AKMT2AMMP13
SCHEMBL2528446 0.84 ALDH1A1 (0.39) AURKARPS6KB1MEN1NPC1RAB9A
SCHEMBL2529738 0.84 EGFR (0.36) AURKARPS6KB1MEN1KMT2AAOC3

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 AURKA 2197/4885RPS6KB1 1424/4885MEN1 1126/4885

“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.