SCHEMBL2525263

SCHEMBL2525263

CN(CC(O)c1ccc(OC(=O)c2ccc(-c3cccs3)cc2)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.41
GPR119 Q8TDV5 1/20 0.40
KMT2A Q03164 4/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
KCNH2 Q12809 2/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
FFAR1 O14842 1/20 0.36
MAPT P10636 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRA6 Q16445 1/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL2531804 0.86 ALDH1A1 (0.44) KMT2AL3MBTL1MAPTALDH1A1KDM4E
SCHEMBL2528955 0.84 GBA1 (0.40) GBA1KMT2APPARGPPARAMAPT
SCHEMBL2525241 0.84 KMT2A (0.51) KMT2AL3MBTL1MAPTALDH1A1MEN1
SCHEMBL2525522 0.82 MAPT (0.49) KMT2AL3MBTL1MAPTALDH1A1MEN1
SCHEMBL2525770 0.82 KMT2A (0.43) KMT2AL3MBTL1MAPTALDH1A1MEN1
SCHEMBL2531521 0.82 SLC6A2 (0.39) KMT2AL3MBTL1MAPTALDH1A1PKM
SCHEMBL2532097 0.82 AOC3 (0.42) KMT2AMAPTALDH1A1MEN1PKM
SCHEMBL2529638 0.82 KMT2A (0.41) KMT2AL3MBTL1MAPTALDH1A1MEN1
SCHEMBL2525345 0.81 GBA1 (0.39) GBA1GPR119KMT2AL3MBTL1PPARG
SCHEMBL2529170 0.80 SLC6A2 (0.37) KMT2AL3MBTL1KCNH2MAPTALDH1A1

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 2362/4885GPR119 147/4885KMT2A 2317/4885

“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.