SCHEMBL3141408

SCHEMBL3141408

O[C@H]1[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)OC[C@H]1O

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.49
SLC6A2 P23975 2/20 0.47
BCHE P06276 5/20 0.44
PDPK1 O15530 1/20 0.42
MTOR P42345 1/20 0.42
SLC5A2 P31639 2/20 0.39
SLC5A1 P13866 1/20 0.39
FUCA1 P04066 2/20 0.38
PDE4D Q08499 1/20 0.37
ACHE P22303 2/20 0.37
TYR P14679 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
SCHEMBL1561048 0.89 SLC6A2 (0.45) TACR1SLC6A2BCHEPDPK1MTOR
SCHEMBL1561047 0.89 SLC6A2 (0.45) TACR1SLC6A2BCHEPDPK1MTOR
SCHEMBL13317630 0.89 SLC6A2 (0.44) TACR1SLC6A2BCHESLC5A2SLC5A1
SCHEMBL5981862 0.89 SLC6A2 (0.44) TACR1SLC6A2BCHESLC5A2SLC5A1
SCHEMBL28840559 0.89 SLC6A2 (0.44) TACR1SLC6A2BCHEPDPK1MTOR
SCHEMBL3425832 0.89 SLC6A2 (0.44) TACR1SLC6A2BCHESLC5A2SLC5A1
SCHEMBL14356311 0.89 SLC6A2 (0.44) TACR1SLC6A2BCHESLC5A2SLC5A1
SCHEMBL7143032 0.89 SLC6A2 (0.44) TACR1SLC6A2BCHESLC5A2SLC5A1
SCHEMBL3954465 0.89 SLC6A2 (0.44) TACR1SLC6A2BCHESLC5A2SLC5A1
SCHEMBL3145889 0.89 SLC6A2 (0.44) TACR1SLC6A2BCHESLC5A2SLC5A1

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 12 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-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
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
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
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 (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-20140005372-A1 NEW METHOD FOR PREPARING ISOFAGOMINE AND ITS DERIVATIVES ALDOA, FBP1, GALE TACR1 4680/4885SLC6A2 75/4885BCHE 742/4885
US-20100160638-A1 NEW METHOD FOR PREPARING ISOFAGOMINE AND ITS DERIVATIVES ALDOA, FBP1, GALE TACR1 4680/4885SLC6A2 75/4885BCHE 742/4885
US-20090176830-A1 TARTRATE SALT OF ISOFAGOMINE AND METHODS OF USE GAA, GBA1, GALC TACR1 1848/4885SLC6A2 36/4885BCHE 955/4885
US-20170044102-A1 New Method for Preparing Isofagomine and Its Derivatives ALDOA, FBP1, GALE TACR1 4680/4885SLC6A2 75/4885BCHE 742/4885

“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.