SCHEMBL2530241

SCHEMBL2530241

COc1ccc(Cl)cc1S(=O)(=O)Oc1ccc(C(O)CN(C)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.52
ALDH1A1 P00352 3/20 0.39
LMNA P02545 2/20 0.39
TSHR P16473 1/20 0.39
RAB9A P51151 2/20 0.39
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
AOC3 Q16853 2/20 0.35
ADRB3 P13945 1/20 0.35
WDR5 P61964 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL2528829 0.91 GAA (0.40) GAAALDH1A1LMNATSHRMAPT
SCHEMBL2528064 0.89 ALDH1A1 (0.39) GAAALDH1A1RAB9AMAPTMEN1
SCHEMBL2530437 0.89 TSHR (0.39) GAAALDH1A1TSHRMEN1KMT2A
SCHEMBL2525203 0.87 ALDH1A1 (0.37) GAAALDH1A1MAPTMEN1KMT2A
SCHEMBL2530985 0.85 AOC3 (0.39) GAAALDH1A1LMNAL3MBTL1AOC3
SCHEMBL2532575 0.85 KDM4E (0.38) GAAALDH1A1TSHRMEN1KMT2A
SCHEMBL2528584 0.84 MEN1 (0.45) ALDH1A1MAPTMEN1KMT2AAOC3
SCHEMBL2528883 0.84 ITGA1 (0.49) ALDH1A1MAPTMEN1KMT2A
SCHEMBL2526981 0.83 MEN1 (0.35) MEN1KMT2AAOC3
SCHEMBL2532676 0.83 STS (0.36) GAAALDH1A1RAB9AMEN1KMT2A

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 GAA 4431/4885ALDH1A1 3248/4885LMNA 2981/4885

“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.