SCHEMBL2529167

SCHEMBL2529167

CN(CC(O)c1ccc(OS(=O)(=O)c2c(Cl)cccc2Cl)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.36
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
MET P08581 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
CDK9 P50750 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 1/20 0.35
TUBB3 Q13509 1/20 0.35
TUBB2A Q13885 1/20 0.35
TUBB8 Q3ZCM7 1/20 0.35
TUBA3E Q6PEY2 1/20 0.35
TUBA1A Q71U36 1/20 0.35
TUBA1C Q9BQE3 1/20 0.35
TUBB6 Q9BUF5 1/20 0.35
TUBB2B Q9BVA1 1/20 0.35
TUBB1 Q9H4B7 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL2530249 0.90 F2 (0.37) AOC3MEN1KMT2AMMP13
SCHEMBL2528541 0.90 MEN1 (0.37) MEN1KMT2AMMP13
SCHEMBL2527007 0.89 UTS2R (0.34) AOC3MEN1KMT2AMMP13F2R
SCHEMBL2532853 0.88 AURKA (0.34) AOC3METCDK9MEN1KMT2A
SCHEMBL2532582 0.87 MEN1 (0.36) AOC3MEN1KMT2AF2R
SCHEMBL2528203 0.85 AOC3 (0.34) AOC3MMP13
SCHEMBL2532676 0.85 STS (0.36) MEN1KMT2ASTSMMP13
SCHEMBL2528584 0.84 MEN1 (0.45) AOC3MEN1KMT2AMMP13
SCHEMBL2532856 0.84 MEN1 (0.36) AOC3MEN1KMT2AMMP13F2R
SCHEMBL2529218 0.84 TDP1 (0.44) MEN1KMT2AMMP13

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 2105/4885TUBB4A 1814/4885TUBB 1766/4885

“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.