SCHEMBL2530249

SCHEMBL2530249

CN(CC(O)c1ccc(OS(=O)(=O)c2cccc(Cl)c2Cl)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F2 P00734 4/20 0.37
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
P2RX7 Q99572 1/20 0.34
MCOLN3 Q8TDD5 1/20 0.33
MMP13 P45452 1/20 0.32
CASR P41180 1/20 0.32
AOC3 Q16853 1/20 0.32
PDK2 Q15119 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
SCHEMBL2528541 0.92 MEN1 (0.37) F2MEN1KMT2AP2RX7MMP13
SCHEMBL2527007 0.91 UTS2R (0.34) F2MEN1KMT2AP2RX7MMP13
SCHEMBL2529167 0.90 AOC3 (0.36) MEN1KMT2AMMP13AOC3
SCHEMBL2529179 0.85 MMP13 (0.36) F2MEN1KMT2AMMP13AOC3
SCHEMBL2530277 0.84 ALPL (0.38) MEN1KMT2AMMP13AOC3
SCHEMBL2525203 0.84 ALDH1A1 (0.37) MEN1KMT2AAOC3
SCHEMBL2533453 0.84 BACE1 (0.43) F2P2RX7
SCHEMBL2528064 0.84 ALDH1A1 (0.39) F2MEN1KMT2AAOC3
SCHEMBL2530352 0.84 MMP13 (0.35) MEN1KMT2AP2RX7MMP13AOC3
SCHEMBL2531098 0.84 NPSR1 (0.40) MEN1KMT2AMMP13AOC3PDK2

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 974/4885MEN1 1126/4885KMT2A 2317/4885

“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.