SCHEMBL2528541

SCHEMBL2528541

CN(CC(O)c1ccc(OS(=O)(=O)c2ccccc2Cl)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
F2 P00734 9/20 0.36
CTRC Q99895 5/20 0.36
PRSS2 P07478 4/20 0.36
MMP13 P45452 1/20 0.35
F10 P00742 1/20 0.35
P2RX7 Q99572 1/20 0.34
PGR P06401 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34

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
SCHEMBL2530249 0.92 F2 (0.37) MEN1KMT2AF2MMP13P2RX7
SCHEMBL2527007 0.91 UTS2R (0.34) MEN1KMT2AF2CTRCPRSS2
SCHEMBL2529167 0.90 AOC3 (0.36) MEN1KMT2AMMP13
SCHEMBL2526963 0.90 MEN1 (0.46) MEN1KMT2AMMP13P2RX7NPC1
SCHEMBL2529179 0.89 MMP13 (0.36) MEN1KMT2AF2MMP13NPC1
SCHEMBL2525203 0.88 ALDH1A1 (0.37) MEN1KMT2A
SCHEMBL2528064 0.88 ALDH1A1 (0.39) MEN1KMT2AF2RAB9A
SCHEMBL2530352 0.88 MMP13 (0.35) MEN1KMT2AMMP13P2RX7NPC1
SCHEMBL2531098 0.88 NPSR1 (0.40) MEN1KMT2AMMP13
SCHEMBL2528477 0.87 F2 (0.37) MEN1KMT2AF2MMP13NPC1

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 2317/4885F2 974/4885

“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.