SCHEMBL2531737

SCHEMBL2531737

CN(CC(O)c1ccc(OS(=O)(=O)c2ccc(C#N)cc2)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.42
F2R P25116 1/20 0.39
EGFR P00533 4/20 0.38
ALDH1A1 P00352 3/20 0.37
HPGD P15428 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
AOC3 Q16853 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
RECQL P46063 1/20 0.34
KMT2A Q03164 1/20 0.34
ABL1 P00519 2/20 0.34
TSHR P16473 1/20 0.34
MMP13 P45452 1/20 0.34
MMP2 P08253 1/20 0.33
CA12 O43570 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
SCHEMBL2528539 0.89 P2RX7 (0.38) P2RX7F2R
SCHEMBL2529164 0.88 PPARG (0.44) P2RX7EGFRALDH1A1MEN1MAPT
SCHEMBL2529241 0.88 EGFR (0.40) EGFRALDH1A1AOC3MEN1MAPT
SCHEMBL2528867 0.88 AOC3 (0.45) EGFRALDH1A1AOC3MEN1MAPT
SCHEMBL2531504 0.88 EGFR (0.43) EGFRALDH1A1CA1CA2CA9
SCHEMBL2528584 0.87 MEN1 (0.45) EGFRALDH1A1AOC3MEN1MAPT
SCHEMBL2526637 0.87 P2RX7 (0.40) P2RX7EGFRALDH1A1AOC3MEN1
SCHEMBL2532879 0.87 AKR1C3 (0.42) P2RX7EGFRALDH1A1CA2CA9
SCHEMBL2526875 0.87 MEN1 (0.48) EGFRALDH1A1CA1CA2CA9
SCHEMBL2529218 0.86 TDP1 (0.44) P2RX7EGFRALDH1A1MEN1MAPT

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 1708/4885F2R 685/4885EGFR 3070/4885

“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.