SCHEMBL4402145

SCHEMBL4402145

CC(=O)NCCO[C@@H]1OC(CO)[C@H](O)[C@H](O)C1O

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.51
LGALS8 O00214 2/20 0.48
LGALS3 P17931 2/20 0.48
LGALS4 P56470 2/20 0.48
GAA P10253 1/20 0.44
ALDH1A1 P00352 1/20 0.44
THRB P10828 1/20 0.44
PYGB P11216 1/20 0.43
SLC28A3 Q9HAS3 2/20 0.43
MAOB P27338 1/20 0.43
IGF2R P11717 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL22769085 1.00 MAPK1 (0.51) MAPK1LGALS8LGALS3LGALS4GAA
SCHEMBL13480464 1.00 MAPK1 (0.51) MAPK1LGALS8LGALS3LGALS4GAA
SCHEMBL13478977 1.00 MAPK1 (0.51) MAPK1LGALS8LGALS3LGALS4GAA
SCHEMBL4401312 1.00 MAPK1 (0.51) MAPK1LGALS8LGALS3LGALS4GAA
SCHEMBL4407553 1.00 MAPK1 (0.51) MAPK1LGALS8LGALS3LGALS4GAA
SCHEMBL4411368 1.00 MAPK1 (0.51) MAPK1LGALS8LGALS3LGALS4GAA
SCHEMBL13478978 1.00 MAPK1 (0.51) MAPK1LGALS8LGALS3LGALS4GAA
SCHEMBL21845898 1.00 MAPK1 (0.51) MAPK1LGALS8LGALS3LGALS4GAA
SCHEMBL17532204 0.92 MAPK1 (0.47) MAPK1LGALS8LGALS3LGALS4GAA
SCHEMBL14210339 0.90 MAPK1 (0.57) MAPK1LGALS8LGALS3LGALS4IGF2R

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-8173843-B2 Amphiphilic derivatives of α-C-phenyl-N-tert-butylnitrone TS PHARMA (FR) 2012-05-08 US disclosed
US-20090306001-A1 NOVEL AMPHIPHILIC DERIVATIVES OF ALPHA-C-PHENYL-N-TERT-BUTYLNITRONE TS PHARMA (FR) 2009-12-10 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-20090306001-A1 NOVEL AMPHIPHILIC DERIVATIVES OF ALPHA-C-PHENYL-N-TERT-BUTYLNITRONE LIPC, TERT, POT1 MAPK1 2949/4885LGALS8 1214/4885LGALS3 1106/4885

“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.