SCHEMBL2528208

SCHEMBL2528208

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

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AURKA O14965 3/20 0.34
RPS6KB1 P23443 3/20 0.34
GPR88 Q9GZN0 1/20 0.32
S1PR3 Q99500 1/20 0.31
KAT6A Q92794 1/20 0.30
KAT5 Q92993 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
SCHEMBL2524954 0.93 AURKA (0.34) AURKARPS6KB1GPR88S1PR3KAT6A
SCHEMBL2526628 0.92 AURKA (0.39) AURKARPS6KB1GPR88S1PR3
SCHEMBL2529616 0.92 GPR88 (0.33) AURKARPS6KB1GPR88KAT6AKAT5
SCHEMBL2533520 0.92 AURKA (0.35) AURKARPS6KB1GPR88S1PR3KAT6A
SCHEMBL2529144 0.90 AURKA (0.34) AURKARPS6KB1GPR88S1PR3KAT6A
SCHEMBL2528830 0.89 AURKA (0.38) AURKARPS6KB1GPR88S1PR3KAT6A
SCHEMBL2527495 0.88 AURKA (0.34) AURKARPS6KB1GPR88S1PR3KAT6A
SCHEMBL2530359 0.87 KMT2A (0.37) AURKARPS6KB1GPR88S1PR3
SCHEMBL2529211 0.87 FFAR1 (0.34) AURKARPS6KB1GPR88S1PR3KAT6A
SCHEMBL2531002 0.86 KMT2A (0.37) AURKARPS6KB1GPR88

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

“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.