SCHEMBL3322973

SCHEMBL3322973

Cc1ccc(S[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.64
CA1 P00915 2/20 0.64
CA2 P00918 2/20 0.64
CA4 P22748 2/20 0.64
CA5A P35218 2/20 0.64
CA7 P43166 2/20 0.64
CA5B Q9Y2D0 2/20 0.64
LGALS3 P17931 9/20 0.54
SLC5A2 P31639 1/20 0.53
LGALS1 P09382 2/20 0.51
LGALS9 O00182 1/20 0.51
LGALS8 O00214 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
SCHEMBL17468111 1.00 CA12 (0.64) CA12CA1CA2CA4CA5A
SCHEMBL3824089 1.00 CA12 (0.64) CA12CA1CA2CA4CA5A
SCHEMBL2163405 1.00 CA12 (0.64) CA12CA1CA2CA4CA5A
SCHEMBL17680214 1.00 CA12 (0.64) CA12CA1CA2CA4CA5A
SCHEMBL19818850 1.00 CA12 (0.64) CA12CA1CA2CA4CA5A
SCHEMBL17683647 1.00 CA12 (0.64) CA12CA1CA2CA4CA5A
SCHEMBL15239502 0.98 CA12 (0.62) CA12CA1CA2CA4CA5A
SCHEMBL5324450 0.98 CA12 (0.62) CA12CA1CA2CA4CA5A
SCHEMBL5324452 0.98 CA12 (0.62) CA12CA1CA2CA4CA5A
SCHEMBL18461439 0.88 CA12 (0.50) CA12CA1CA2CA4CA5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007128480-A2 THIOGLYCOSIDES AS PHARMACEUTICALLY ACTIVE AGENTS MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2007-11-15 WO claimed
CN-114085255-B Cronobacter cloacae 5-lipopolysaccharide O-antigen oligosaccharide fragment and preparation method and application thereof 山东大学 2023-08-29 CN disclosed
CN-114085255-A Cronobacter zuchendii type 5 lipopolysaccharide O-antigen oligosaccharide fragment and preparation method and application thereof 山东大学 2022-02-25 CN disclosed
US-20150344513-A9 METHODS AND INTERMEDIATES FOR THE PREPARATION OF FONDAPARINUX ACADEMIA SINICA (TW) 2015-12-03 US disclosed
US-20150126721-A1 METHODS AND INTERMEDIATES FOR THE PREPARATION OF FONDAPARINUX ACADEMIA SINICA (TW) 2015-05-07 US disclosed
US-8912149-B1 Glycosaminoglycan mimetics CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2014-12-16 US disclosed
US-8338387-B2 Small molecule stimulators of neuronal growth CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2012-12-25 US disclosed
US-20100075920-A1 SMALL MOLECULE STIMULATORS OF NEURONAL GROWTH NATIONAL SCIENCE FOUNDATION 2010-03-25 US disclosed
US-7638503-B2 Small molecule stimulators of neuronal growth CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2009-12-29 US disclosed
WO-2007128480-A2 THIOGLYCOSIDES AS PHARMACEUTICALLY ACTIVE AGENTS MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2007-11-15 WO disclosed
EP-1854806-A1 Thioglycosides as pharmaceutically active agents MPG Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2007-11-14 EP disclosed
EP-1761550-A2 SMALL MOLECULE STIMULATORS OF NEURONAL GROWTH California Institute of Technology (US) 2007-03-14 EP disclosed
US-20060025379-A1 Small molecule stimulators of neuronal growth CALIFORNIA INSTITUTE OF TECHNOLOGY 2006-02-02 US disclosed
WO-2005118609-A2 SMALL MOLECULE STIMULATORS OF NEURONAL GROWTH CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2005-12-15 WO 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-20150344513-A9 METHODS AND INTERMEDIATES FOR THE PREPARATION OF FONDAPARINUX F2, TBXA2R, PROC CA12 975/4885CA1 670/4885CA2 839/4885
US-20060025379-A1 Small molecule stimulators of neuronal growth BDNF, GAP43, NGF CA12 3450/4885CA1 1018/4885CA2 1634/4885
US-20100075920-A1 SMALL MOLECULE STIMULATORS OF NEURONAL GROWTH BDNF, GAP43, NGF CA12 3450/4885CA1 1018/4885CA2 1634/4885
US-20150126721-A1 METHODS AND INTERMEDIATES FOR THE PREPARATION OF FONDAPARINUX F2, TBXA2R, PROC CA12 975/4885CA1 670/4885CA2 839/4885

“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.