SCHEMBL2528533

SCHEMBL2528533

CN(CC(O)c1ccc(OS(=O)(=O)c2ccccc2OC(F)(F)F)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.39
CTRC Q99895 1/20 0.39
CNR2 P34972 2/20 0.36
PDK2 Q15119 1/20 0.35
HTR6 P50406 1/20 0.34
P2RX7 Q99572 1/20 0.34
MMP13 P45452 1/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 1/20 0.33
VNN1 O95497 1/20 0.32
KDM2B Q8NHM5 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
GSTO1 P78417 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
SENP8 Q96LD8 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
SCHEMBL2528477 0.87 F2 (0.37) F2CNR2PDK2MMP13MEN1
SCHEMBL2532682 0.87 PTPN1 (0.38) PDK2MEN1KMT2A
SCHEMBL2526963 0.86 MEN1 (0.46) PDK2P2RX7MMP13SLC6A4MEN1
SCHEMBL2529179 0.86 MMP13 (0.36) F2PDK2MMP13MEN1NPC1
SCHEMBL2526994 0.85 P2RX7 (0.41) P2RX7MMP13SLC6A4SLC6A3MEN1
SCHEMBL2530352 0.84 MMP13 (0.35) PDK2P2RX7MMP13SLC6A4MEN1
SCHEMBL2531098 0.84 NPSR1 (0.40) PDK2MMP13MEN1KMT2APOLB
SCHEMBL2528541 0.84 MEN1 (0.37) F2CTRCP2RX7MMP13MEN1
SCHEMBL2529218 0.83 TDP1 (0.44) P2RX7MMP13MEN1NPC1RAB9A
SCHEMBL2533453 0.82 BACE1 (0.43) F2CNR2P2RX7

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 F2 974/4885CTRC 2910/4885CNR2 93/4885

“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.