SCHEMBL2526409

SCHEMBL2526409

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.34
KAT6A Q92794 1/20 0.34
KAT5 Q92993 1/20 0.34
F2R P25116 1/20 0.33
ALDH1A1 P00352 1/20 0.32
PKM P14618 1/20 0.32
YAP1 P46937 1/20 0.32
TEAD4 Q15561 1/20 0.32
TEAD2 Q15562 1/20 0.32
NR3C2 P08235 1/20 0.32
RORC P51449 1/20 0.32
PDK2 Q15119 1/20 0.31
MDM4 O15151 1/20 0.31
MDM2 Q00987 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ALPL P05186 1/20 0.31
ALPI P09923 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31

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
SCHEMBL2528446 0.90 ALDH1A1 (0.39) AOC3ALDH1A1PDK2MEN1KMT2A
SCHEMBL2525203 0.90 ALDH1A1 (0.37) AOC3F2RALDH1A1MEN1KMT2A
SCHEMBL2529298 0.89 FFAR1 (0.34) KAT6AKAT5MEN1KMT2A
SCHEMBL2532856 0.89 MEN1 (0.36) AOC3KAT6AKAT5F2RMEN1
SCHEMBL2529175 0.87 ALDH1A1 (0.36) AOC3KAT6AKAT5ALDH1A1PDK2
SCHEMBL2530277 0.86 ALPL (0.38) AOC3KAT6AKAT5F2RALDH1A1
SCHEMBL2528541 0.86 MEN1 (0.37) MEN1KMT2A
SCHEMBL2529294 0.86 FFAR1 (0.36) AOC3KAT6AKAT5F2R
SCHEMBL2532879 0.85 AKR1C3 (0.42) AOC3ALDH1A1MEN1KMT2A
SCHEMBL2528064 0.84 ALDH1A1 (0.39) AOC3F2RALDH1A1MEN1KMT2A

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 2105/4885KAT6A 1834/4885KAT5 272/4885

“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.