SCHEMBL2532684

SCHEMBL2532684

CN(C(=O)OC(C)(C)C)C(O)Cc1ccc(OS(=O)(=O)c2ccc(Br)cc2OC(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.41
P2RX7 Q99572 2/20 0.35
AAK1 Q2M2I8 1/20 0.35
HIF1A Q16665 1/20 0.35
EPAS1 Q99814 1/20 0.35
ALPL P05186 3/20 0.34
MMP13 P45452 1/20 0.33
PPARG P37231 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
WDR5 P61964 1/20 0.32

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
SCHEMBL2532682 0.82 PTPN1 (0.38) PTPN1AAK1HIF1AEPAS1ALPL
SCHEMBL2527498 0.71 BMP1 (0.41) P2RX7MMP13
SCHEMBL2528887 0.70 MEN1 (0.34) AAK1MMP13
SCHEMBL2528533 0.69 F2 (0.39) P2RX7MMP13
SCHEMBL2525221 0.67 LMNA (0.38) P2RX7AAK1MMP13
SCHEMBL16529459 0.67 MMP13 (0.44) PTPN1P2RX7MMP13PPARG
SCHEMBL25178674 0.67 EPHX2 (0.44) PTPN1MMP13PPARG
SCHEMBL2531550 0.67 KMT2A (0.35) PTPN1P2RX7AAK1MMP13DDR1
SCHEMBL2532856 0.67 MEN1 (0.36) AAK1ALPLMMP13
SCHEMBL2530437 0.66 TSHR (0.39) AAK1WDR5

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 4450/4885P2RX7 1708/4885AAK1 2130/4885

“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.