SCHEMBL12289778

SCHEMBL12289778

O=C(O)C1[C@@H](O)[C@H](O)C(O)CN1CCO

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 10/20 0.55
MGAM O43451 4/20 0.55
SI P14410 3/20 0.55
GBA1 P04062 2/20 0.55
TDP1 Q9NUW8 1/20 0.55
LCT P09848 1/20 0.55
AGL P35573 3/20 0.52
GBA2 Q9HCG7 8/20 0.38
UGCG Q16739 3/20 0.38
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL12325136 1.00 GAA (0.55) GAAMGAMSIGBA1TDP1
SCHEMBL941922 1.00 GAA (0.55) GAAMGAMSIGBA1TDP1
SCHEMBL17795748 1.00 GAA (0.55) GAAMGAMSIGBA1TDP1
SCHEMBL941202 0.81 GBA2 (0.57) GAAMGAMSIGBA1AGL
SCHEMBL12325138 0.81 GBA2 (0.57) GAAMGAMSIGBA1AGL
SCHEMBL12289779 0.81 GBA2 (0.57) GAAMGAMSIGBA1AGL
SCHEMBL4166086 0.78 AGL (0.52) GAAMGAMSIGBA1TDP1
SCHEMBL12191646 0.78 GAA (0.51) GAAMGAMSIGBA1AGL
SCHEMBL12327271 0.73 GAA (0.48) GAAMGAMSIGBA1AGL
Piperidine SCHEMBL3381522 0.72 GBA2 (0.50) GAAMGAMSIGBA1AGL

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
US-20160151341-A1 TREATMENT OF ENERGY UTILIZATION DISEASE SUMMIT CORPORATION PLC (GB) 2016-06-02 US disclosed
US-20110237538-A1 TREATMENT OF LYSOSOMAL STORAGE DISORDERS AND OTHER PROTEOSTATIC DISEASES SUMMIT CORPORATION PLC (GB) 2011-09-29 US disclosed
US-20110195929-A1 COMPOUNDS FOR THE TREATMENT OF FLAVIVIRAL INFECTIONS SUMMIT CORPORATION PLC (GB) 2011-08-11 US disclosed
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 (4 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-20110237538-A1 TREATMENT OF LYSOSOMAL STORAGE DISORDERS AND OTHER PROTEOSTATIC DISEASES GAA, MAN2B1, GBA1 GAA 1/4885MGAM 36/4885SI 230/4885
US-20110195929-A1 COMPOUNDS FOR THE TREATMENT OF FLAVIVIRAL INFECTIONS GPI, GALE, HAVCR2 GAA 107/4885MGAM 43/4885SI 219/4885
US-20110015226-A1 Treatment of Energy Utilization Disease IRS1, SLC2A1, INSR GAA 268/4885MGAM 97/4885SI 388/4885
US-20160151341-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.