SCHEMBL2525209

SCHEMBL2525209

CN(CC(O)c1ccc(OS(=O)(=O)c2ccccc2C#N)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.35
F2R P25116 1/20 0.35
MMP13 P45452 1/20 0.34
NR1H3 Q13133 1/20 0.33
POLB P06746 2/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
PTPN1 P18031 1/20 0.33
MAOB P27338 1/20 0.32
HSD11B1 P28845 1/20 0.32
P2RX7 Q99572 1/20 0.32
GPR88 Q9GZN0 1/20 0.32

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
SCHEMBL2527630 0.88 LMNA (0.34) F2LMNANR1H3
SCHEMBL2529179 0.87 MMP13 (0.36) F2MMP13POLBGPR88
SCHEMBL2526963 0.85 MEN1 (0.46) KDM4EMMP13POLBP2RX7GPR88
SCHEMBL2531098 0.85 NPSR1 (0.40) MMP13POLBGPR88
SCHEMBL2528541 0.85 MEN1 (0.37) F2MMP13P2RX7
SCHEMBL2530352 0.85 MMP13 (0.35) MMP13POLBP2RX7GPR88
SCHEMBL2528477 0.84 F2 (0.37) F2KDM4ELMNAMMP13POLB
SCHEMBL2529218 0.83 TDP1 (0.44) ALDH1A1MMP13P2RX7GPR88
SCHEMBL2531737 0.83 P2RX7 (0.42) ALDH1A1F2RMMP13P2RX7
SCHEMBL2533453 0.83 BACE1 (0.43) F2ALDH1A1HTTLMNAP2RX7

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 F2 974/4885ALDH1A1 3248/4885HTT 614/4885

“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.