SCHEMBL2528539

SCHEMBL2528539

CN(CC(O)c1ccc(OS(=O)(=O)c2cccc(C#N)c2)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 6/20 0.38
RORC P51449 4/20 0.37
P2RY2 P41231 1/20 0.36
GPR17 Q13304 1/20 0.36
GAA P10253 1/20 0.36
F2R P25116 1/20 0.35
NR1H3 Q13133 1/20 0.35
CNR2 P34972 1/20 0.34
MCOLN3 Q8TDD5 1/20 0.34
PGR P06401 1/20 0.33
FFAR1 O14842 1/20 0.33
NR1H2 P55055 1/20 0.33

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
SCHEMBL2531737 0.89 P2RX7 (0.42) P2RX7F2R
SCHEMBL2530793 0.87 F2 (0.37) P2RX7GPR17
SCHEMBL2532676 0.86 STS (0.36) GAAPGR
SCHEMBL2528497 0.86 HTR6 (0.35) P2RX7GPR17
SCHEMBL2530411 0.86 MMP13 (0.36) P2RX7
SCHEMBL2529218 0.85 TDP1 (0.44) P2RX7
SCHEMBL2529294 0.84 FFAR1 (0.36) P2RX7F2RFFAR1
SCHEMBL2525351 0.84 GAA (0.39) RORCGAACNR2
SCHEMBL2532710 0.83 ENPP1 (0.41) GAA
SCHEMBL2528482 0.83 ALOX5 (0.46) P2RY2GPR17GAA

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 P2RX7 1708/4885RORC 596/4885P2RY2 2187/4885

“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.