SCHEMBL2525274

SCHEMBL2525274

CN(CC(c1ccc(OC(=O)c2ccccc2-c2cccs2)cc1)c1nccn1C(=O)O)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.39
ITGB1 P05556 1/20 0.33
ITGA4 P13612 1/20 0.33
AURKA O14965 3/20 0.32
RPS6KB1 P23443 3/20 0.32
FFAR1 O14842 6/20 0.32
HCRTR1 O43613 2/20 0.32
HCRTR2 O43614 2/20 0.32
GPR88 Q9GZN0 1/20 0.31
PDK2 Q15119 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 2/20 0.30
TP53 P04637 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL2525345 0.87 GBA1 (0.39) GBA1AURKARPS6KB1FFAR1MAPT
SCHEMBL2527508 0.86 HPGD (0.45) AURKARPS6KB1FFAR1GPR88ALDH1A1
SCHEMBL2527048 0.86 AURKA (0.35) AURKARPS6KB1FFAR1GPR88ALDH1A1
SCHEMBL2530772 0.85 KMT2A (0.35) AURKARPS6KB1FFAR1GPR88ALDH1A1
SCHEMBL2531074 0.85 AURKA (0.35) AURKARPS6KB1GPR88PDK2ALDH1A1
SCHEMBL2533255 0.85 AURKA (0.35) AURKARPS6KB1FFAR1GPR88ALDH1A1
SCHEMBL2530359 0.85 KMT2A (0.37) AURKARPS6KB1GPR88ALDH1A1MAPT
SCHEMBL2527399 0.84 SLC6A2 (0.41) AURKARPS6KB1GPR88ALDH1A1MAPT
SCHEMBL2529414 0.84 AURKA (0.38) GBA1AURKARPS6KB1GPR88ALDH1A1
SCHEMBL2525542 0.82 KMT2A (0.41) AURKARPS6KB1GPR88ALDH1A1MAPT

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 GBA1 2362/4885ITGB1 4771/4885ITGA4 4669/4885

“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.