SCHEMBL2532682

SCHEMBL2532682

CN(CC(O)c1ccc(OS(=O)(=O)c2ccc(Br)cc2OC(F)(F)F)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.38
ALPL P05186 3/20 0.34
PPARG P37231 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
DDR1 Q08345 2/20 0.33
ADRA2A P08913 7/20 0.32
NPY5R Q15761 7/20 0.32
MCHR1 Q99705 7/20 0.32
HIF1A Q16665 1/20 0.32
EPAS1 Q99814 1/20 0.32
AAK1 Q2M2I8 1/20 0.32
WDR5 P61964 1/20 0.32
PDK2 Q15119 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
SCHEMBL2528887 0.88 MEN1 (0.34) MEN1KMT2AAAK1PDK2
SCHEMBL2528533 0.87 F2 (0.39) MEN1KMT2APDK2
SCHEMBL2525221 0.86 LMNA (0.38) MEN1KMT2AAAK1
SCHEMBL2531550 0.85 KMT2A (0.35) PTPN1MEN1KMT2ADDR1AAK1
SCHEMBL2532856 0.85 MEN1 (0.36) ALPLMEN1KMT2AAAK1
SCHEMBL2530437 0.84 TSHR (0.39) MEN1KMT2AAAK1WDR5
SCHEMBL2532684 0.82 PTPN1 (0.41) PTPN1ALPLPPARGDDR1ADRA2A
SCHEMBL2526994 0.82 P2RX7 (0.41) MEN1KMT2A
SCHEMBL2526637 0.82 P2RX7 (0.40) PPARGMEN1KMT2A
SCHEMBL2530985 0.81 AOC3 (0.39)

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 PTPN1 4450/4885ALPL 4554/4885PPARG 1096/4885

“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.