SCHEMBL3150845

SCHEMBL3150845

O=C(Cc1ccccc1)[C@H](O)[C@@H](O)[C@H](O)CO

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 3/20 0.45
CES2 O00748 2/20 0.45
AKR1B1 P15121 1/20 0.45
PDE4A P27815 1/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
CNR2 P34972 2/20 0.39
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CTBP2 P56545 1/20 0.38
EPHX2 P34913 1/20 0.38
CYP1A2 P05177 1/20 0.37
TRPA1 O75762 1/20 0.37

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
SCHEMBL25286651 1.00 CES1 (0.45) CES1CES2AKR1B1PDE4AMEN1
SCHEMBL3151110 1.00 CES1 (0.45) CES1CES2AKR1B1PDE4AMEN1
SCHEMBL6450713 1.00 CES1 (0.45) CES1CES2AKR1B1PDE4AMEN1
SCHEMBL3346621 0.95 PDE4A (0.50) CES1CES2AKR1B1PDE4AMEN1
SCHEMBL9095034 0.95 PDE4A (0.50) CES1CES2AKR1B1PDE4AMEN1
SCHEMBL25197599 0.95 PDE4A (0.50) CES1CES2AKR1B1PDE4AMEN1
SCHEMBL10351577 0.95 PDE4A (0.50) CES1CES2AKR1B1PDE4AMEN1
Ammonia Solution, Strong SCHEMBL27687216 0.93 PDE4A (0.48) CES1CES2AKR1B1PDE4AMEN1
Water SCHEMBL28217782 0.93 PDE4A (0.48) CES1CES2AKR1B1PDE4AMEN1
Acetic Acid SCHEMBL31555913 0.90 PDE4A (0.46) CES1CES2AKR1B1PDE4AMEN1

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 7 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-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
WO-2008144773-A1 NEW METHOD FOR PREPARING ISOFAGOMINE AND ITS DERIVATIVES AMICUS THERAPEUTICS, INC. (US) 2008-11-27 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 (3 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 CES1 3652/4885CES2 1493/4885AKR1B1 1246/4885
US-20100160638-A1 NEW METHOD FOR PREPARING ISOFAGOMINE AND ITS DERIVATIVES ALDOA, FBP1, GALE CES1 3652/4885CES2 1493/4885AKR1B1 1246/4885
US-20170044102-A1 New Method for Preparing Isofagomine and Its Derivatives ALDOA, FBP1, GALE CES1 3652/4885CES2 1493/4885AKR1B1 1246/4885

“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.