SCHEMBL2528461

SCHEMBL2528461

CN(CC(O)c1ccc(OS(=O)(=O)c2cc(F)c(F)c(F)c2)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.34
KAT6A Q92794 1/20 0.34
KAT5 Q92993 1/20 0.34
MMP13 P45452 1/20 0.33
AOC3 Q16853 2/20 0.33
PDK2 Q15119 1/20 0.32
MAPT P10636 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
AURKA O14965 2/20 0.32
RPS6KB1 P23443 2/20 0.32
ANPEP P15144 1/20 0.31
GPR88 Q9GZN0 1/20 0.31
P2RX7 Q99572 1/20 0.31
ABL1 P00519 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
RECQL P46063 1/20 0.31
KMT2A Q03164 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
SCHEMBL2529738 0.91 EGFR (0.36) EGFRKAT6AKAT5MMP13AOC3
SCHEMBL2532879 0.88 AKR1C3 (0.42) EGFRMMP13AOC3MAPTP2RX7
SCHEMBL2528896 0.87 PSEN1 (0.42) EGFRPDK2
SCHEMBL2526981 0.87 MEN1 (0.35) EGFRKAT6AKAT5MMP13AOC3
SCHEMBL2528203 0.86 AOC3 (0.34) EGFRKAT6AKAT5MMP13AOC3
SCHEMBL2529925 0.86 APEX1 (0.37) EGFRKAT6AKAT5MMP13MEN1
SCHEMBL2528497 0.86 HTR6 (0.35) EGFRMMP13AOC3PDK2MAPT
SCHEMBL2530483 0.86 MMP13 (0.33) EGFRKAT6AKAT5MMP13AOC3
SCHEMBL2529218 0.85 TDP1 (0.44) EGFRMMP13MAPTNPC1RAB9A
SCHEMBL2528446 0.85 ALDH1A1 (0.39) AOC3PDK2MAPTNPC1RAB9A

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 EGFR 3070/4885KAT6A 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.