SCHEMBL2528883

SCHEMBL2528883

CN(CC(O)c1ccc(OS(=O)(=O)c2cc(Cl)cc(Cl)c2O)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGA1 P56199 1/20 0.49
ACLY P53396 12/20 0.41
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CTSD P07339 1/20 0.33
KAT6A Q92794 1/20 0.33
KAT5 Q92993 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 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 0.88 ALDH1A1 (0.39) ITGA1ALDH1A1MAPTMEN1KMT2A
SCHEMBL2525203 0.88 ALDH1A1 (0.37) ITGA1ALDH1A1MAPTMEN1KMT2A
SCHEMBL2526981 0.86 MEN1 (0.35) KAT6AKAT5MEN1KMT2A
SCHEMBL2530277 0.84 ALPL (0.38) ITGA1ALDH1A1MAPTKAT6AKAT5
SCHEMBL2528541 0.84 MEN1 (0.37) MEN1KMT2A
SCHEMBL2530241 0.84 GAA (0.52) ALDH1A1MAPTMEN1KMT2A
SCHEMBL2528584 0.83 MEN1 (0.45) ALDH1A1MAPTMEN1KMT2A
SCHEMBL2532856 0.83 MEN1 (0.36) KAT6AKAT5MEN1KMT2A
SCHEMBL2526409 0.83 AOC3 (0.34) ALDH1A1KAT6AKAT5MEN1KMT2A
SCHEMBL2530249 0.82 F2 (0.37) MEN1KMT2A

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 ITGA1 4689/4885ACLY 1895/4885ALDH1A1 3248/4885

“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.