SCHEMBL942535

SCHEMBL942535

O=C(O)CN1CC(O)[C@@H](O)[C@H](O)[C@H]1CO

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 9/20 0.59
MGAM O43451 5/20 0.59
SI P14410 3/20 0.59
GBA1 P04062 3/20 0.59
TDP1 Q9NUW8 1/20 0.59
LCT P09848 1/20 0.59
GBA2 Q9HCG7 9/20 0.53
UGCG Q16739 3/20 0.53
AGL P35573 3/20 0.53
MEN1 O00255 1/20 0.51
LMNA P02545 1/20 0.51
MAPK1 P28482 1/20 0.51
KMT2A Q03164 1/20 0.51

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
SCHEMBL12909423 1.00 GAA (0.59) GAAMGAMSIGBA1TDP1
SCHEMBL2437299 1.00 GAA (0.59) GAAMGAMSIGBA1TDP1
SCHEMBL2433211 0.94 AGL (0.58) GAAMGAMSIGBA1TDP1
SCHEMBL943657 0.94 AGL (0.58) GAAMGAMSIGBA1TDP1
SCHEMBL12909422 0.82 GAA (0.66) GAAMGAMSIGBA1TDP1
SCHEMBL12289787 0.82 GAA (0.66) GAAMGAMSIGBA1TDP1
SCHEMBL12325137 0.82 GAA (0.66) GAAMGAMSIGBA1TDP1
SCHEMBL17795750 0.82 GAA (0.66) GAAMGAMSIGBA1TDP1
SCHEMBL26679472 0.78 GAA (0.70) GAAMGAMSIGBA1TDP1
SCHEMBL2270637 0.78 GAA (0.70) GAAMGAMSIGBA1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110015226-A1 Treatment of Energy Utilization Disease SUMMIT CORPORATION PLC (GB) 2011-01-20 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-20110015226-A1 Treatment of Energy Utilization Disease IRS1, SLC2A1, INSR GAA 268/4885MGAM 97/4885SI 388/4885

“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.