SCHEMBL3290451

SCHEMBL3290451

O=C(O)c1ccccc1NC1O[C@H](CO)[C@@H](O)[C@H]1O

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC5A2 P31639 1/20 0.53
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
TSHR P16473 1/20 0.50
GRK6 P43250 2/20 0.47
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46

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
SCHEMBL379657 0.83 ADORA1 (0.41)
SCHEMBL30852279 0.82 SLC5A2 (0.47) SLC5A2NPC1RAB9ATSHRCA1
SCHEMBL30852312 0.82 SLC5A2 (0.47) SLC5A2NPC1RAB9ATSHRCA1
SCHEMBL30852351 0.82 SLC5A2 (0.47) SLC5A2NPC1RAB9ATSHRCA1
SCHEMBL14742691 0.81 FBP1 (0.48)
SCHEMBL29508765 0.81 FBP1 (0.48)
SCHEMBL769912 0.81 FBP1 (0.48)
Pyrophosphoric Acid SCHEMBL14742591 0.79 FBP1 (0.45)
SCHEMBL10788242 0.77 SLC5A1 (0.44) SLC5A2
SCHEMBL10773805 0.77 SLC5A1 (0.44) SLC5A2

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-20200239897-A1 PROMOTERS FROM CORYNEBACTERIUM GLUTAMICUM AND USES THEREOF IN REGULATING ANCILLARY GENE EXPRESSION ZYMERGEN INC. 2020-07-30 US disclosed
US-7723076-B2 Use of selective labeling to detect and characterize molecular interactions by nuclear magnetic resonance spectroscopy THE BURNHAM INSTITUTE (US) 2010-05-25 US disclosed
US-20060275876-A1 Use of selective labeling to detect and characterize molecular interactions by nuclear magnetic resonance spectroscopy PELLECCHIA MAURIZIO 2006-12-07 US disclosed
US-20040132102-A1 Use of selective labeling to detect and characterize molecular interactions by nuclear magnetic resonance spectroscopy BURNHAM INSTITUTE, THE 2004-07-08 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-20060275876-A1 Use of selective labeling to detect and characterize molecular interactions by nuclear magnetic resonance spectroscopy MRPS27, MRPS34, MRPS22 SLC5A2 4746/4885NPC1 3264/4885RAB9A 3671/4885

“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.