SCHEMBL1561047

SCHEMBL1561047

O[C@H]1CO[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.45
PDPK1 O15530 2/20 0.43
MTOR P42345 1/20 0.43
BCHE P06276 4/20 0.42
TACR1 P25103 3/20 0.40
PDE4D Q08499 1/20 0.38
ACHE P22303 1/20 0.38

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
SCHEMBL1561048 1.00 SLC6A2 (0.45) SLC6A2PDPK1MTORBCHETACR1
SCHEMBL3141408 0.89 TACR1 (0.49) SLC6A2PDPK1MTORBCHETACR1
SCHEMBL5981862 0.84 SLC6A2 (0.44) SLC6A2BCHETACR1PDE4D
SCHEMBL13317630 0.84 SLC6A2 (0.44) SLC6A2BCHETACR1PDE4D
SCHEMBL28840559 0.84 SLC6A2 (0.44) SLC6A2PDPK1MTORBCHETACR1
SCHEMBL14356311 0.84 SLC6A2 (0.44) SLC6A2BCHETACR1PDE4D
SCHEMBL3954465 0.84 SLC6A2 (0.44) SLC6A2BCHETACR1PDE4D
SCHEMBL3425832 0.84 SLC6A2 (0.44) SLC6A2BCHETACR1PDE4D
SCHEMBL7143032 0.84 SLC6A2 (0.44) SLC6A2BCHETACR1PDE4D
SCHEMBL8600119 0.84 SLC6A2 (0.44) SLC6A2BCHETACR1PDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170044102-A1 New Method for Preparing Isofagomine and Its Derivatives AMICUS THERAPEUTICS INC (US) 2017-02-16 US disclosed
US-20170044102-A1 New Method for Preparing Isofagomine and Its Derivatives AMICUS THERAPEUTICS INC (US) 2017-02-16 US disclosed
US-9481700-B2 Method for preparing isofagomine and its derivatives AMICUS THERAPEUTICS, INC. (US) 2016-11-01 US disclosed
US-20140005372-A1 NEW METHOD FOR PREPARING ISOFAGOMINE AND ITS DERIVATIVES AMICUS THERAPEUTICS INC (US) 2014-01-02 US disclosed
US-8487110-B2 Method for preparing isofagomine and its derivatives AMICUS THERAPEUTICS, INC. (US) 2013-07-16 US disclosed
US-8487110-B2 Method for preparing isofagomine and its derivatives AMICUS THERAPEUTICS, INC. (US) 2013-07-16 US disclosed
EP-1860101-B1 Tartrate sale of isofagomine and methods of use AMICUS THERAPEUTICS INC (US) 2011-04-06 EP disclosed
US-7863453-B2 Tartrate salt of isofagomine and methods of use AMICUS THERAPEUTICS, INC. (US) 2011-01-04 US disclosed
US-20100160638-A1 NEW METHOD FOR PREPARING ISOFAGOMINE AND ITS DERIVATIVES AMICUS THERAPEUTICS, INC. (US) 2010-06-24 US disclosed
US-20100160638-A1 NEW METHOD FOR PREPARING ISOFAGOMINE AND ITS DERIVATIVES AMICUS THERAPEUTICS, INC. (US) 2010-06-24 US disclosed
EP-2152265-A1 NEW METHOD FOR PREPARING ISOFAGOMINE AND ITS DERIVATIVES Amicus Therapeutics, Inc. (US) 2010-02-17 EP disclosed
US-20090176830-A1 TARTRATE SALT OF ISOFAGOMINE AND METHODS OF USE AMICUS THERAPEUTICS, INC. (US) 2009-07-09 US disclosed
US-7501439-B2 Tartrate salt of isofagomine and methods of use AMICUS THERAPEUTICS, INC. (US) 2009-03-10 US disclosed
WO-2008144773-A1 NEW METHOD FOR PREPARING ISOFAGOMINE AND ITS DERIVATIVES AMICUS THERAPEUTICS, INC. (US) 2008-11-27 WO disclosed
WO-2007140212-A2 TARTRATE SALT OF ISOFAGOMINE AND METHODS OF USE AMICUS THERAPEUTICS, INC. (US) 2007-12-06 WO disclosed
US-20070281975-A1 Tartrate Salt of Isofagomine and Methods of Use AMICUS THERAPEUTICS, INC. 2007-12-06 US disclosed
EP-1860101-A1 Tartrate sale of isofagomine and methods of use Amicus Therapeutics, Inc. (US) 2007-11-28 EP 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 (5 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-20070281975-A1 Tartrate Salt of Isofagomine and Methods of Use GAA, GBA1, GALC SLC6A2 36/4885PDPK1 2875/4885MTOR 3564/4885
US-20140005372-A1 NEW METHOD FOR PREPARING ISOFAGOMINE AND ITS DERIVATIVES ALDOA, FBP1, GALE SLC6A2 75/4885PDPK1 1226/4885MTOR 4320/4885
US-20100160638-A1 NEW METHOD FOR PREPARING ISOFAGOMINE AND ITS DERIVATIVES ALDOA, FBP1, GALE SLC6A2 75/4885PDPK1 1226/4885MTOR 4320/4885
US-20090176830-A1 TARTRATE SALT OF ISOFAGOMINE AND METHODS OF USE GAA, GBA1, GALC SLC6A2 36/4885PDPK1 2875/4885MTOR 3564/4885
US-20170044102-A1 New Method for Preparing Isofagomine and Its Derivatives ALDOA, FBP1, GALE SLC6A2 75/4885PDPK1 1226/4885MTOR 4320/4885

“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.