SCHEMBL1997101

SCHEMBL1997101

CC(=O)SCCCC(=O)OC(=O)CC/C(=N/O)OC(=O)CCCSC(C)=O

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
CYP2C19 P33261 1/20 0.32
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
BLM P54132 1/20 0.31
ATM Q13315 1/20 0.31

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
SCHEMBL1820175 0.90 ALDH1A1 (0.33) CYP2C19ALDH1A1POLBBLMATM
SCHEMBL15412096 0.84 ALDH1A1 (0.42) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1972716 0.83 ALDH1A1 (0.33) ALDH1A1
SCHEMBL15412964 0.79 HDAC3 (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL15412097 0.78 ALDH1A1 (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL15634824 0.77 HDAC3 (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14432755 0.76 DGKA (0.46) ALDH1A1
SCHEMBL6738571 0.75 ALDH1A1 (0.33) ALDH1A1
SCHEMBL731664 0.75 ALDH1A1 (0.46) ALDH1A1
SCHEMBL17204502 0.75 DGKA (0.48) HDAC11ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220175904-A1 METHODS AND COMPOSITIONS RELATING TO SYNTHETIC BETA-1,6 GLUCOSAMINE OLIGOSACCHARIDES THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2022-06-09 US disclosed
US-11123416-B2 Methods and compositions relating to synthetic beta-1,6 glucosamine oligosaccharides THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2021-09-21 US disclosed
US-20190117754-A1 METHODS AND COMPOSITIONS RELATING TO SYNTHETIC BETA-1,6 GLUCOSAMINE OLIGOSACCHARIDES THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2019-04-25 US disclosed
US-10034927-B2 Methods and compositions relating to synthetic beta-1,6 glucosamine oligosaccharides THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2018-07-31 US disclosed
EP-3312158-A1 METHODS AND COMPOSITIONS RELATING TO SYNTHETIC BETA-1,6 GLUCOSAMINE OLIGOSACCHARIDES The Brigham and Women's Hospital, Inc. (US) 2018-04-25 EP disclosed
EP-2315747-B1 METHODS AND COMPOSITIONS RELATING TO SYNTHETIC BETA-1,6 GLUCOSAMINE OLIGOSACCHARIDES BRIGHAM & WOMENS HOSPITAL INC (US) 2017-12-06 EP disclosed
US-20160375117-A1 METHODS AND COMPOSITIONS RELATING TO SYNTHETIC BETA-1,6 GLUCOSAMINE OLIGOSACCHARIDES THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2016-12-29 US disclosed
US-9474806-B2 Methods and compositions relating to synthetic beta-1,6 glucosamine oligosaccharides THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2016-10-25 US disclosed
US-20140037633-A1 METHODS AND COMPOSITIONS RELATING TO SYNTHETIC BETA-1,6 GLUCOSAMINE OLIGOSACCHARIDES THE BRIGHAM AND WOMEN'S HOSPITAL, INC. 2014-02-06 US disclosed
US-8492364-B2 Methods and compositions relating to synthetic β-1,6 glucosamine oligosaccharides THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2013-07-23 US disclosed
US-20110150880-A1 METHODS AND COMPOSITIONS RELATING TO SYNTHETIC BETA-1,6 GLUCOSAMINE OLIGOSACCHARIDES THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2011-06-23 US 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 (7 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-20160375117-A1 METHODS AND COMPOSITIONS RELATING TO SYNTHETIC BETA-1,6 GLUCOSAMINE OLIGOSACCHARIDES FUT6, B3GAT3, OGT HDAC3 1781/4885HDAC4 3723/4885HDAC1 2781/4885
US-20140037633-A1 METHODS AND COMPOSITIONS RELATING TO SYNTHETIC BETA-1,6 GLUCOSAMINE OLIGOSACCHARIDES FUT6, OGT, FUT5 HDAC3 1900/4885HDAC4 3167/4885HDAC1 2140/4885
US-20110150880-A1 METHODS AND COMPOSITIONS RELATING TO SYNTHETIC BETA-1,6 GLUCOSAMINE OLIGOSACCHARIDES FUT6, OGT, FUT5 HDAC3 1900/4885HDAC4 3167/4885HDAC1 2140/4885
US-10034927-B2 Methods and compositions relating to synthetic beta-1,6 glucosamine oligosaccharides FUT6, B3GAT3, OGT HDAC3 1781/4885HDAC4 3723/4885HDAC1 2781/4885
US-11123416-B2 Methods and compositions relating to synthetic beta-1,6 glucosamine oligosaccharides FUT6, B3GAT3, OGT HDAC3 1781/4885HDAC4 3723/4885HDAC1 2781/4885
US-20220175904-A1 METHODS AND COMPOSITIONS RELATING TO SYNTHETIC BETA-1,6 GLUCOSAMINE OLIGOSACCHARIDES FUT6, B3GAT3, OGT HDAC3 1794/4885HDAC4 3768/4885HDAC1 2806/4885
US-20190117754-A1 METHODS AND COMPOSITIONS RELATING TO SYNTHETIC BETA-1,6 GLUCOSAMINE OLIGOSACCHARIDES FUT6, OGT, FUT5 HDAC3 1900/4885HDAC4 3167/4885HDAC1 2140/4885

“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.