SCHEMBL2530352

SCHEMBL2530352

CN(CC(O)c1ccc(OS(=O)(=O)c2ccccc2I)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.35
POLB P06746 1/20 0.34
AOC3 Q16853 1/20 0.33
GPR88 Q9GZN0 1/20 0.33
PDK2 Q15119 1/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
BACE1 P56817 5/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
HTR2C P28335 1/20 0.32
SLC6A4 P31645 1/20 0.32
P2RX7 Q99572 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
SCHEMBL2529179 0.89 MMP13 (0.36) MMP13POLBAOC3GPR88PDK2
SCHEMBL2528541 0.88 MEN1 (0.37) MMP13MEN1KMT2ANPC1RAB9A
SCHEMBL2526963 0.88 MEN1 (0.46) MMP13POLBAOC3GPR88PDK2
SCHEMBL2531098 0.88 NPSR1 (0.40) MMP13POLBAOC3GPR88PDK2
SCHEMBL2528477 0.87 F2 (0.37) MMP13POLBGPR88PDK2MEN1
SCHEMBL2529218 0.86 TDP1 (0.44) MMP13GPR88MEN1KMT2ANPC1
SCHEMBL2533453 0.86 BACE1 (0.43) BACE1P2RX7
SCHEMBL2525209 0.85 F2 (0.38) MMP13POLBGPR88P2RX7
SCHEMBL2528533 0.84 F2 (0.39) MMP13POLBGPR88PDK2MEN1
SCHEMBL2530249 0.84 F2 (0.37) MMP13AOC3PDK2MEN1KMT2A

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 MMP13 231/4885POLB 4628/4885AOC3 2105/4885

“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.