SCHEMBL2528477

SCHEMBL2528477

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.37
CNR2 P34972 1/20 0.36
PDK2 Q15119 1/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 2/20 0.35
LMNA P02545 1/20 0.35
MMP13 P45452 1/20 0.35
CACNA1G O43497 1/20 0.34
CACNA1B Q00975 1/20 0.34
CACNA1C Q13936 1/20 0.34
BMP1 P13497 1/20 0.34
RAB9A P51151 2/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
KMT2A Q03164 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33

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
SCHEMBL2526963 0.89 MEN1 (0.46) PDK2KDM4EPOLBMMP13RAB9A
SCHEMBL2529179 0.89 MMP13 (0.36) F2PDK2POLBMMP13RAB9A
SCHEMBL2528533 0.87 F2 (0.39) F2CNR2PDK2POLBMMP13
SCHEMBL2528541 0.87 MEN1 (0.37) F2MMP13RAB9AMEN1NPC1
SCHEMBL2531098 0.87 NPSR1 (0.40) PDK2POLBMMP13MEN1KMT2A
SCHEMBL2530352 0.87 MMP13 (0.35) PDK2POLBMMP13RAB9AMEN1
SCHEMBL2528887 0.86 MEN1 (0.34) PDK2MMP13CACNA1GCACNA1BCACNA1C
SCHEMBL2529218 0.85 TDP1 (0.44) MMP13RAB9AMEN1NPC1KMT2A
SCHEMBL2533453 0.85 BACE1 (0.43) F2CNR2LMNA
SCHEMBL2525209 0.84 F2 (0.38) F2KDM4EPOLBLMNAMMP13

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 974/4885CNR2 93/4885PDK2 934/4885

“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.