SCHEMBL2528802

SCHEMBL2528802

CN(CC(O)c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
HSP90AA1 P07900 1/20 0.47
GAA P10253 2/20 0.39
EGFR P00533 2/20 0.39
NPC1 O15118 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
HPGD P15428 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 2/20 0.38
POLB P06746 1/20 0.38
ACHE P22303 1/20 0.38
SLC6A4 P31645 1/20 0.38
AURKA O14965 1/20 0.37
RPS6KB1 P23443 1/20 0.37
MAOA P21397 1/20 0.37

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
SCHEMBL2528482 0.90 ALOX5 (0.46) ALDH1A1GAAMEN1KMT2AHPGD
SCHEMBL2529241 0.88 EGFR (0.40) ALDH1A1EGFRMEN1KMT2AMAPT
SCHEMBL2531504 0.88 EGFR (0.43) ALDH1A1EGFRMEN1KMT2ASMN1; SMN2
SCHEMBL2529164 0.88 PPARG (0.44) ALDH1A1EGFRMEN1KMT2AMAPT
SCHEMBL2528867 0.88 AOC3 (0.45) ALDH1A1GAAEGFRMEN1KMT2A
SCHEMBL2526875 0.87 MEN1 (0.48) ALDH1A1EGFRMEN1KMT2AMAPT
SCHEMBL2532879 0.87 AKR1C3 (0.42) ALDH1A1EGFRMEN1KMT2AMAPT
SCHEMBL2528584 0.87 MEN1 (0.45) ALDH1A1EGFRMEN1KMT2AMAPT
SCHEMBL2526637 0.87 P2RX7 (0.40) ALDH1A1EGFRMEN1KMT2AMAPT
SCHEMBL2529218 0.86 TDP1 (0.44) ALDH1A1EGFRNPC1MEN1KMT2A

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 3248/4885HSP90AA1 2227/4885GAA 4431/4885

“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.