SCHEMBL2532856

SCHEMBL2532856

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

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
TSHR P16473 1/20 0.36
AAK1 Q2M2I8 2/20 0.34
F2R P25116 1/20 0.33
HSD11B1 P28845 1/20 0.32
MMP13 P45452 1/20 0.32
KAT6A Q92794 1/20 0.32
KAT5 Q92993 1/20 0.32
AOC3 Q16853 1/20 0.31
UTS2R Q9UKP6 1/20 0.31
ALPL P05186 1/20 0.31
ALPI P09923 1/20 0.31
FPR3 P25089 1/20 0.31
FPR2 P25090 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
SCHEMBL2525203 0.90 ALDH1A1 (0.37) MEN1KMT2AF2RAOC3
SCHEMBL2525221 0.89 LMNA (0.38) MEN1KMT2AAAK1MMP13AOC3
SCHEMBL2531550 0.89 KMT2A (0.35) MEN1KMT2AAAK1MMP13AOC3
SCHEMBL2526409 0.89 AOC3 (0.34) MEN1KMT2AF2RKAT6AKAT5
SCHEMBL2528887 0.88 MEN1 (0.34) MEN1KMT2AAAK1MMP13AOC3
SCHEMBL2529298 0.87 FFAR1 (0.34) MEN1KMT2AKAT6AKAT5
SCHEMBL2530277 0.86 ALPL (0.38) MEN1KMT2AF2RMMP13KAT6A
SCHEMBL2528541 0.86 MEN1 (0.37) MEN1KMT2AMMP13
SCHEMBL2529294 0.86 FFAR1 (0.36) F2RHSD11B1KAT6AKAT5AOC3
SCHEMBL2530437 0.86 TSHR (0.39) MEN1KMT2ATSHRAAK1AOC3

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 MEN1 1126/4885KMT2A 2317/4885TSHR 3753/4885

“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.