SCHEMBL3425828

SCHEMBL3425828

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

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
TYR P14679 4/20 0.42
TACR1 P25103 1/20 0.41
FUCA1 P04066 2/20 0.41
SLC5A2 P31639 2/20 0.41
BCHE P06276 2/20 0.41
SLC5A1 P13866 1/20 0.41
PDE4D Q08499 1/20 0.39

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
SCHEMBL6730565 1.00 SLC6A2 (0.44) SLC6A2CA1CA2CA9TYR
SCHEMBL3145889 1.00 SLC6A2 (0.44) SLC6A2CA1CA2CA9TYR
SCHEMBL13317630 1.00 SLC6A2 (0.44) SLC6A2CA1CA2CA9TYR
SCHEMBL8600119 1.00 SLC6A2 (0.44) SLC6A2CA1CA2CA9TYR
SCHEMBL3425832 1.00 SLC6A2 (0.44) SLC6A2CA1CA2CA9TYR
SCHEMBL14356311 1.00 SLC6A2 (0.44) SLC6A2CA1CA2CA9TYR
SCHEMBL7143032 1.00 SLC6A2 (0.44) SLC6A2CA1CA2CA9TYR
SCHEMBL3954465 1.00 SLC6A2 (0.44) SLC6A2CA1CA2CA9TYR
SCHEMBL5981862 1.00 SLC6A2 (0.44) SLC6A2CA1CA2CA9TYR
Water SCHEMBL28110031 0.98 SLC6A2 (0.43) SLC6A2CA1CA2CA9TYR

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-8487110-B2 Method for preparing isofagomine and its derivatives AMICUS THERAPEUTICS, INC. (US) 2013-07-16 US disclosed
EP-1682504-B1 HYDROXY PIPERIDINE DERIVATIVES TO TREAT GAUCHER DISEASE AMICUS THERAPEUTICS INC (US) 2012-12-26 EP disclosed
CN-1906162-B Hydroxypiperidine derivatives for the treatment of Gaucher's disease AMICUS THERAPEUTICS INC 2012-05-23 CN disclosed
US-20100189708-A1 HYDROXY PIPERIDINE DERIVATIVES TO TREAT GAUCHER DISEASE AMICUS THERAPEUTICS, INC. (US) 2010-07-29 US disclosed
US-20100160638-A1 NEW METHOD FOR PREPARING ISOFAGOMINE AND ITS DERIVATIVES AMICUS THERAPEUTICS, INC. (US) 2010-06-24 US disclosed
US-7741340-B2 Hydroxy piperidine derivatives to treat gaucher disease AMICUS THERAPEUTICS, INC. (US) 2010-06-22 US disclosed
EP-1682504-A4 HYDROXY PIPERIDINE DERIVATIVES TO TREAT GAUCHER DISEASE AMICUS THERAPEUTICS INC (US) 2008-10-22 EP disclosed
CN-1906162-A Hydroxy piperidine derivatives to treat gaucher disease AMICUS THERAPEUTICS INC (US) 2007-01-31 CN disclosed
EP-1682504-A2 HYDROXY PIPERIDINE DERIVATIVES TO TREAT GAUCHER DISEASE Amicus Therapeutics Inc. (US) 2006-07-26 EP disclosed
US-20050130972-A1 Hydroxy piperidine derivatives to treat gaucher disease AMICUS THERAPEUTICS, INC. 2005-06-16 US disclosed
WO-2005046612-A2 HYDROXY PIPERIDINE DERIVATIVES TO TREAT GAUCHER DISEASE AMICUS THERAPEUTICS INC. (US) 2005-05-26 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-20100160638-A1 NEW METHOD FOR PREPARING ISOFAGOMINE AND ITS DERIVATIVES ALDOA, FBP1, GALE SLC6A2 75/4885CA1 3285/4885CA2 4256/4885
US-20100189708-A1 HYDROXY PIPERIDINE DERIVATIVES TO TREAT GAUCHER DISEASE GBA1, GAA, GBA2 SLC6A2 3373/4885CA1 4231/4885CA2 1980/4885
US-20050130972-A1 Hydroxy piperidine derivatives to treat gaucher disease GBA1, GAA, GBA2 SLC6A2 3373/4885CA1 4231/4885CA2 1980/4885
US-20170044102-A1 New Method for Preparing Isofagomine and Its Derivatives ALDOA, FBP1, GALE SLC6A2 75/4885CA1 3285/4885CA2 4256/4885

“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.