SCHEMBL2528896

SCHEMBL2528896

CN(CC(O)c1ccc(OS(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 3/20 0.42
PSEN2 P49810 3/20 0.42
APH1B Q8WW43 3/20 0.42
NCSTN Q92542 3/20 0.42
APH1A Q96BI3 3/20 0.42
PSENEN Q9NZ42 3/20 0.42
TACR1 P25103 4/20 0.39
CACNA1G O43497 1/20 0.37
CACNA1B Q00975 1/20 0.37
CACNA1C Q13936 1/20 0.37
ENPP3 O14638 5/20 0.35
ENPP1 P22413 4/20 0.35
ENPP2 Q13822 4/20 0.35
HSD11B1 P28845 1/20 0.34
EGFR P00533 1/20 0.34
STS P08842 1/20 0.34
BMP1 P13497 1/20 0.34
PDK2 Q15119 1/20 0.34

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
SCHEMBL2525351 0.91 GAA (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2527589 0.91 ENPP3 (0.44) ENPP3ENPP1ENPP2HSD11B1EGFR
SCHEMBL2532582 0.87 MEN1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2528461 0.87 EGFR (0.34) EGFRPDK2
SCHEMBL2526981 0.86 MEN1 (0.35) ENPP3ENPP1EGFRSTS
SCHEMBL2526994 0.85 P2RX7 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2529298 0.85 FFAR1 (0.34) CACNA1GCACNA1BCACNA1CENPP3ENPP1
SCHEMBL2528684 0.85 HSD11B1 (0.37) CACNA1GCACNA1BCACNA1CENPP3ENPP1
SCHEMBL2532879 0.85 AKR1C3 (0.42) ENPP3ENPP1ENPP2EGFR
SCHEMBL2526875 0.85 MEN1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A

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 PSEN1 1404/4885PSEN2 2208/4885APH1B 3726/4885

“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.