SCHEMBL4955174

SCHEMBL4955174

C=C(OCC)C(=O)NC(=O)OCC

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
GAA P10253 2/20 0.41
MGAM O43451 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
POLB P06746 1/20 0.40
KMT2A Q03164 3/20 0.39
CYP1A2 P05177 1/20 0.38
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TSHR P16473 1/20 0.36
ALOX12 P18054 2/20 0.36
MEN1 O00255 2/20 0.36
THRB P10828 1/20 0.36
PSMD14 O00487 1/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL14000615 0.83 MEN1 (0.40) ALDH1A1L3MBTL1GAAMGAMSI
SCHEMBL357937 0.83 ALDH1A1 (0.49) ALDH1A1L3MBTL1GAAMGAMSI
SCHEMBL28103293 0.79 ALDH1A1 (0.43) ALDH1A1L3MBTL1GAAMGAMSI
SCHEMBL7713280 0.78 GAA (0.55) ALDH1A1L3MBTL1GAAMGAMSI
SCHEMBL27553046 0.78 ALDH1A1 (0.41) ALDH1A1L3MBTL1GAAMGAMSI
SCHEMBL8522573 0.77 ALDH1A1 (0.47) ALDH1A1L3MBTL1GAAMGAMSI
SCHEMBL9787442 0.77
SCHEMBL9659162 0.77
SCHEMBL4728651 0.77 GAA (0.44) ALDH1A1L3MBTL1GAAMGAMSI
SCHEMBL17773066 0.76 ALDH1A1 (0.58) ALDH1A1L3MBTL1GAAMGAMSI

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1284741-B1 3'-OR 2'-HYDROXYMETHYL SUBSTITUTED NUCLEOSIDE DERIVATIVES FOR TREATMENT OF VIRAL INFECTIONS PHARMASSET INC (US) 2008-11-19 EP disclosed
EP-1964569-A2 3'-or 2'-hydroxymethyl substituted nucleoside derivatives for treatment of viral infections Pharmasset, Inc. (US) 2008-09-03 EP disclosed
US-7094770-B2 3′-or 2′-hydroxymethyl substituted nucleoside derivatives for treatment of hepatitis virus infections PHARMASSET, LTD. (BB) 2006-08-22 US disclosed
US-20020055483-A1 3'-or 2'-hydroxymethyl substituted nucleoside derivatives for treatment of hepatites virus infections PHARMASSET, INC. 2002-05-09 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-20020055483-A1 3'-or 2'-hydroxymethyl substituted nucleoside derivatives for treatment of hepatites virus infections HCCS, HDGF, HMBS ALDH1A1 1109/4885L3MBTL1 2411/4885GAA 1018/4885

“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.