SCHEMBL3706965

SCHEMBL3706965

CC(=O)NCCOS(C)(=O)=O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 3/20 0.46
TSHR P16473 3/20 0.46
USP2 O75604 2/20 0.46
ALOX15 P16050 2/20 0.46
LMNA P02545 1/20 0.46
MMP9 P14780 1/20 0.46
MAPK1 P28482 2/20 0.44
HIF1A Q16665 1/20 0.44
MTNR1A P48039 4/20 0.43
MTNR1B P49286 4/20 0.43
HSD17B10 Q99714 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
PAOX Q6QHF9 3/20 0.38
HPGD P15428 1/20 0.37
ADRA1A P35348 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL11840924 0.88 TSHR (0.54) ALDH1A1KDM4ETSHRUSP2ALOX15
SCHEMBL13394101 0.83 MAPK1 (0.50) ALDH1A1KDM4ETSHRUSP2ALOX15
SCHEMBL7371279 0.83 USP2 (0.46) ALDH1A1KDM4ETSHRUSP2ALOX15
SCHEMBL11522601 0.81 MAPK1 (0.43) ALDH1A1KDM4ETSHRUSP2ALOX15
SCHEMBL13056649 0.80 KDM4E (0.48) ALDH1A1KDM4ETSHRUSP2ALOX15
SCHEMBL16202246 0.80 KDM4E (0.48) ALDH1A1KDM4ETSHRUSP2ALOX15
SCHEMBL11398723 0.79 MEN1 (0.50) ALDH1A1KDM4ETSHRUSP2ALOX15
SCHEMBL11719835 0.77 KDM4E (0.39) ALDH1A1KDM4ETSHRUSP2ALOX15
SCHEMBL9547827 0.76 L3MBTL1 (0.44) ALDH1A1KDM4ETSHRUSP2ALOX15
SCHEMBL501069 0.75 CA1 (0.50) ALDH1A1KDM4ETSHRUSP2ALOX15

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-20210198220-A1 SSAO INHIBITOR SHANDONG DANHONG PHARMACEUTICAL CO LTD (CN) 2021-07-01 US disclosed
WO-2010093191-A2 NOVEL COMPOUNDS EFFECTIVE AS XANTHINE OXIDASE INHIBITORS, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME LG LIFE SCIENCES LTD. (KR) 2010-08-19 WO 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-20210198220-A1 SSAO INHIBITOR SSB, ASAH2, AOX1 ALDH1A1 177/4885KDM4E 2172/4885TSHR 2736/4885

“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.