SCHEMBL21783260

SCHEMBL21783260

OC[C@H]1CC[C@H](O)[C@@H](O)[C@H]1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 7/20 0.41
GBA2 Q9HCG7 4/20 0.41
SI P14410 2/20 0.41
GAA P10253 2/20 0.41
PYGL P06737 1/20 0.41
GLB1 P16278 1/20 0.41
FUCA1 P04066 2/20 0.36
MAN2B1 O00754 1/20 0.36
MAN2B2 Q9Y2E5 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ALOX15 P16050 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
TREH O43280 1/20 0.36
MGAM O43451 1/20 0.36
GLA P06280 1/20 0.36
LCT P09848 1/20 0.36
AGL P35573 1/20 0.36
GANAB Q14697 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
SCHEMBL18523022 1.00 GBA1 (0.41) GBA1GBA2SIGAAPYGL
SCHEMBL22631740 1.00 GBA1 (0.41) GBA1GBA2SIGAAPYGL
SCHEMBL18962605 1.00 GBA1 (0.41) GBA1GBA2SIGAAPYGL
SCHEMBL16785937 1.00 GBA1 (0.41) GBA1GBA2SIGAAPYGL
SCHEMBL18707465 1.00 GBA1 (0.41) GBA1GBA2SIGAAPYGL
SCHEMBL13425150 1.00 GBA1 (0.41) GBA1GBA2SIGAAPYGL
SCHEMBL16168335 0.97 SI (0.44) GBA1GBA2SIGAAPYGL
SCHEMBL260181 0.92
SCHEMBL12329241 0.92
SCHEMBL12463717 0.92

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
WO-2020046132-A1 PHARMACOLOGICAL CHAPERONES FOR ENZYME TREATMENT THERAPY LEIDEN UNIVERSITY (NL) 2020-03-05 WO disclosed
US-20170226058-A1 N-(5-((ARYL OR HETEROARYL)METHYLOXY)PENTYL)-SUBSTITUTED IMINOSUGARS AS INHIBITORS OF GLUCOSYLCERAMIDE SYNTHASE Stichting Amsterdam UMC (NL) 2017-08-10 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-20170226058-A1 N-(5-((ARYL OR HETEROARYL)METHYLOXY)PENTYL)-SUBSTITUTED IMINOSUGARS AS INHIBITORS OF GLUCOSYLCERAMIDE SYNTHASE GBA2, GBA1, GALC GBA1 2/4885GBA2 1/4885SI 281/4885

“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.