SCHEMBL2528064

SCHEMBL2528064

CN(CC(O)c1ccc(OS(=O)(=O)c2cc(Cl)ccc2Cl)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
ALPL P05186 2/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
AOC3 Q16853 1/20 0.36
ALPI P09923 1/20 0.36
F2R P25116 1/20 0.35
F2 P00734 1/20 0.35
ITGA1 P56199 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
SCHEMBL2525203 0.92 ALDH1A1 (0.37) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL2530241 0.89 GAA (0.52) ALDH1A1MAPTL3MBTL1GAARAB9A
SCHEMBL2528684 0.89 HSD11B1 (0.37) ALDH1A1MAPTL3MBTL1GAAMEN1
SCHEMBL2528883 0.88 ITGA1 (0.49) ALDH1A1MAPTMEN1KMT2AITGA1
SCHEMBL2530277 0.88 ALPL (0.38) ALDH1A1MAPTALPLMEN1KMT2A
SCHEMBL2528541 0.88 MEN1 (0.37) RAB9AMEN1KMT2AF2
SCHEMBL2528584 0.87 MEN1 (0.45) ALDH1A1MAPTMEN1KMT2AAOC3
SCHEMBL2529269 0.86 APEX1 (0.47) MEN1KMT2AF2R
SCHEMBL2526981 0.86 MEN1 (0.35) MEN1KMT2AAOC3F2R
SCHEMBL2532676 0.85 STS (0.36) ALDH1A1L3MBTL1GAARAB9AMEN1

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 2834/4885L3MBTL1 4486/4885

“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.