SCHEMBL2525203

SCHEMBL2525203

CN(CC(O)c1ccc(OS(=O)(=O)c2ccc(Cl)cc2Cl)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GAA P10253 1/20 0.36
AOC3 Q16853 1/20 0.36
ITGA1 P56199 1/20 0.35
TRPV4 Q9HBA0 1/20 0.34
BDKRB1 P46663 1/20 0.33
FFAR1 O14842 1/20 0.33
F2R P25116 1/20 0.33
AHCY P23526 1/20 0.33
PTGDR Q13258 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL2528064 0.92 ALDH1A1 (0.39) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL2532856 0.90 MEN1 (0.36) MEN1KMT2AAOC3F2R
SCHEMBL2526409 0.90 AOC3 (0.34) ALDH1A1MEN1KMT2AAOC3F2R
SCHEMBL2529298 0.89 FFAR1 (0.34) MAPTMEN1KMT2AGAAFFAR1
SCHEMBL2528883 0.88 ITGA1 (0.49) ALDH1A1MAPTMEN1KMT2AITGA1
SCHEMBL2530277 0.88 ALPL (0.38) ALDH1A1MAPTMEN1KMT2AAOC3
SCHEMBL2528541 0.88 MEN1 (0.37) MEN1KMT2A
SCHEMBL2529294 0.88 FFAR1 (0.36) AOC3TRPV4FFAR1F2R
SCHEMBL2530241 0.87 GAA (0.52) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL2528584 0.87 MEN1 (0.45) ALDH1A1MAPTMEN1KMT2AAOC3

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 3248/4885MAPT 2834/4885MEN1 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.