SCHEMBL2526645

SCHEMBL2526645

CN(CC(O)c1ccc(OS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 6/20 0.38
SLC6A9 P48067 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
MEP1B Q16820 1/20 0.37
MMP7 P09237 1/20 0.36
APEX1 P27695 1/20 0.36
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CNR2 P34972 1/20 0.35
KAT6A Q92794 1/20 0.35
KAT5 Q92993 1/20 0.35
P2RX7 Q99572 1/20 0.35
SCN9A Q15858 1/20 0.35

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
SCHEMBL2529269 0.90 APEX1 (0.47) APEX1KAT6AKAT5
SCHEMBL2529925 0.87 APEX1 (0.37) APEX1CNR2KAT6AKAT5
SCHEMBL2531949 0.86 APEX1 (0.38) APEX1KAT6AKAT5P2RX7
SCHEMBL2527392 0.85 APEX1 (0.47) CA2APEX1KAT6AKAT5
SCHEMBL2527589 0.85 ENPP3 (0.44)
SCHEMBL2529810 0.85 ALPL (0.45)
SCHEMBL2528584 0.85 MEN1 (0.45)
SCHEMBL2528684 0.84 HSD11B1 (0.37) L3MBTL1
SCHEMBL2528896 0.84 PSEN1 (0.42)
SCHEMBL2529738 0.84 EGFR (0.36) KAT6AKAT5P2RX7

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 CCR2 251/4885SLC6A9 3996/4885CA1 1869/4885

“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.