SCHEMBL2529616

SCHEMBL2529616

CN(CC(c1ccc(OC(=O)c2c(F)c(F)c(F)c(F)c2F)cc1)c1nccn1C(=O)O)C(=O)OC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GPR88 Q9GZN0 1/20 0.33
AURKA O14965 6/20 0.32
RPS6KB1 P23443 6/20 0.32
KAT6A Q92794 1/20 0.31
KAT5 Q92993 1/20 0.31

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
SCHEMBL2524954 0.94 AURKA (0.34) GPR88AURKARPS6KB1KAT6AKAT5
SCHEMBL2528208 0.92 AURKA (0.34) GPR88AURKARPS6KB1KAT6AKAT5
SCHEMBL2526628 0.91 AURKA (0.39) GPR88AURKARPS6KB1
SCHEMBL2529144 0.91 AURKA (0.34) GPR88AURKARPS6KB1KAT6AKAT5
SCHEMBL2527495 0.90 AURKA (0.34) GPR88AURKARPS6KB1KAT6AKAT5
SCHEMBL2533520 0.89 AURKA (0.35) GPR88AURKARPS6KB1KAT6AKAT5
SCHEMBL2531002 0.89 KMT2A (0.37) GPR88AURKARPS6KB1
SCHEMBL2531263 0.88 FFAR1 (0.35) GPR88AURKARPS6KB1KAT6AKAT5
SCHEMBL2525580 0.88 CYP26A1 (0.32) GPR88AURKARPS6KB1
SCHEMBL2527399 0.88 SLC6A2 (0.41) GPR88AURKARPS6KB1

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 GPR88 672/4885AURKA 2197/4885RPS6KB1 1424/4885

“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.