SCHEMBL4388634

SCHEMBL4388634

CC(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PYGB P11216 7/20 0.70
GAA P10253 1/20 0.70
AKR1B1 P15121 1/20 0.54
TSHR P16473 1/20 0.54
CA12 O43570 3/20 0.53
CA1 P00915 3/20 0.53
CA2 P00918 3/20 0.53
CA9 Q16790 3/20 0.53

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
SCHEMBL12510566 1.00 PYGB (0.70) PYGBGAAAKR1B1TSHRCA12
SCHEMBL7150986 1.00 PYGB (0.70) PYGBGAAAKR1B1TSHRCA12
SCHEMBL488948 1.00 PYGB (0.70) PYGBGAAAKR1B1TSHRCA12
SCHEMBL1582415 1.00 PYGB (0.70) PYGBGAAAKR1B1TSHRCA12
SCHEMBL7150977 1.00 PYGB (0.70) PYGBGAAAKR1B1TSHRCA12
SCHEMBL468706 0.98 PYGB (0.67) PYGBGAAAKR1B1TSHRCA12
SCHEMBL7149670 0.98 PYGB (0.67) PYGBGAAAKR1B1TSHRCA12
SCHEMBL31477900 0.88 PYGB (0.64) PYGBGAAAKR1B1CA12CA1
SCHEMBL4307948 0.86 PYGB (0.62) PYGBGAA
SCHEMBL9302995 0.86 CA1 (0.60) PYGBGAACA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110150984-A1 METHODS OF INCREASING THE BIOAVAILABILITY AND/OR CELLULAR UPDATE OF DRUGS HET NEDERLANDS KANKER INSTITUUT (NL) 2011-06-23 US disclosed
US-7915227-B2 Pharmaceutical formulations employing short-chain sphingolipids and their use HET NEDERLANDS KANKER INSTITUUT (NL) 2011-03-29 US disclosed
EP-1686959-B1 PHARMACEUTICAL FORMULATIONS EMPLOYING SHORT-CHAIN SPHINGOLIPIDS AND THEIR USE HET NL KANKER I THE NETHERLAND (NL) 2009-06-24 EP disclosed
US-20090041740-A1 CANCER TREATMENT BY METABOLIC MODULATIONS ENGENE, INC. (CA) 2009-02-12 US disclosed
US-20070082855-A1 Pharmaceutical formulations employing short-chain sphingolipids and their use HET NEDERLANDS KANKER INSTITUUT (NL) 2007-04-12 US disclosed
US-20070082855-A1 Pharmaceutical formulations employing short-chain sphingolipids and their use HET NEDERLANDS KANKER INSTITUUT (NL) 2007-04-12 US disclosed
WO-2006043036-A2 TREATMENT OF DIABETES THE UNIVERSITY OF NEWCASTLE (GB) 2006-04-27 WO disclosed
US-20050202559-A1 Cancer treatment by metabolic modulations HERCULES CAPITAL, INC. 2005-09-15 US disclosed
EP-1556088-A2 COMPOSITIONS FOR CANCER TREATMENT Engene, Inc. (CA) 2005-07-27 EP disclosed
WO-2004039412-A2 COMPOSITIONS FOR CANCER TREATMENT ENGENE, INC. (CA) 2004-05-13 WO disclosed
US-20020031816-A1 METHOD OF INHIBITION OF HUMAN GLYCOGEN PHOSPHORYLASE PFIZER PRODUCTS INC. 2002-03-14 US disclosed
EP-0978279-A1 Inhibitors of human glycogen phosphorylase Pfizer Products Inc. (US) 2000-02-09 EP disclosed
WO-1995003809-A2 USE OF GLUCOKINASE INHIBITORS FOR THE MANUFACTURE OF A MEDICAMENT FOR TREATING TUMOURS ISIS INNOVATION LIMITED (GB) 1995-02-09 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 (2 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-20110150984-A1 METHODS OF INCREASING THE BIOAVAILABILITY AND/OR CELLULAR UPDATE OF DRUGS NPC1L1, SGMS2, SGMS1 PYGB 1298/4885GAA 284/4885AKR1B1 1179/4885
US-20070082855-A1 Pharmaceutical formulations employing short-chain sphingolipids and their use SGMS1, SGMS2, CERT1 PYGB 1998/4885GAA 544/4885AKR1B1 2451/4885

“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.