SCHEMBL2525351

SCHEMBL2525351

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP3A4 P08684 3/20 0.38
CYP2C19 P33261 3/20 0.38
CYP2C9 P11712 2/20 0.37
CYP2D6 P10635 1/20 0.37
KDM4E B2RXH2 1/20 0.37
F2 P00734 1/20 0.37
TRPV4 Q9HBA0 1/20 0.37
HSD11B1 P28845 1/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36

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
SCHEMBL2528896 0.91 PSEN1 (0.42) HSD11B1PSEN1PSEN2APH1BNCSTN
SCHEMBL2528497 0.89 HTR6 (0.35) MAPTHPGDALDH1A1MMP13
SCHEMBL2527589 0.88 ENPP3 (0.44) MEN1MAPTKMT2AKDM4EHSD11B1
SCHEMBL2530793 0.87 F2 (0.37) MAPTF2MMP13
SCHEMBL2532676 0.87 STS (0.36) GAAMEN1KMT2ASMN1; SMN2F2
SCHEMBL2530411 0.87 MMP13 (0.36) MEN1MAPTKMT2AMMP13
SCHEMBL2529218 0.86 TDP1 (0.44) MEN1MAPTKMT2ASMN1; SMN2ALDH1A1
SCHEMBL2528684 0.84 HSD11B1 (0.37) GAAMEN1MAPTMAPK1HTT
SCHEMBL2529298 0.84 FFAR1 (0.34) GAAMEN1MAPTMAPK1HTT
SCHEMBL2528539 0.84 P2RX7 (0.38) GAACNR2RORC

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 GAA 4431/4885MEN1 1126/4885MAPT 2834/4885

“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.