SCHEMBL1820175

SCHEMBL1820175

CC(=O)SCCC(=O)OC(=O)CC/C(=N/O)OC(=O)CCSC(C)=O

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
CYP2C19 P33261 1/20 0.33
POLB P06746 1/20 0.32
BLM P54132 1/20 0.32
ATM Q13315 1/20 0.32

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
SCHEMBL1997101 0.90 HDAC3 (0.33) ALDH1A1CYP2C19POLBBLMATM
SCHEMBL1972716 0.86 ALDH1A1 (0.33) ALDH1A1
SCHEMBL3490443 0.83 ALDH1A1 (0.46) ALDH1A1CYP2C19POLBBLMATM
SCHEMBL731664 0.77 ALDH1A1 (0.46) ALDH1A1
SCHEMBL10428923 0.77 ALDH1A1 (0.46) ALDH1A1CYP2C19POLBBLMATM
SCHEMBL4098529 0.77 MGAM (0.41) ALDH1A1
SCHEMBL733088 0.76 ALDH1A1 (0.62) ALDH1A1
SCHEMBL10826603 0.76 CYP2C19 (0.43) ALDH1A1CYP2C19POLBBLMATM
SCHEMBL8179681 0.75 ALDH1A1 (0.35) ALDH1A1CYP2C19POLBBLMATM
SCHEMBL5785545 0.74 ALDH1A1 (0.38) ALDH1A1

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 13 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
EP-2315747-A2 METHODS AND COMPOSITIONS RELATING TO SYNTHETIC BETA-1,6 GLUCOSAMINE OLIGOSACCHARIDES The Brigham and Women's Hospital, Inc. (US) 2011-05-04 EP disclosed
WO-2010011284-A2 METHODS AND COMPOSITIONS RELATING TO SYNTHETIC BETA-1,6 GLUCOSAMINE OLIGOSACCHARIDES THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2010-01-28 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 (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 ALDH1A1 1819/4885CYP2C19 3070/4885POLB 1986/4885
US-20140037633-A1 METHODS AND COMPOSITIONS RELATING TO SYNTHETIC BETA-1,6 GLUCOSAMINE OLIGOSACCHARIDES FUT6, OGT, FUT5 ALDH1A1 1870/4885CYP2C19 3762/4885POLB 1155/4885
US-20110150880-A1 METHODS AND COMPOSITIONS RELATING TO SYNTHETIC BETA-1,6 GLUCOSAMINE OLIGOSACCHARIDES FUT6, OGT, FUT5 ALDH1A1 1870/4885CYP2C19 3762/4885POLB 1155/4885
US-10034927-B2 Methods and compositions relating to synthetic beta-1,6 glucosamine oligosaccharides FUT6, B3GAT3, OGT ALDH1A1 1819/4885CYP2C19 3070/4885POLB 1986/4885
US-11123416-B2 Methods and compositions relating to synthetic beta-1,6 glucosamine oligosaccharides FUT6, B3GAT3, OGT ALDH1A1 1819/4885CYP2C19 3070/4885POLB 1986/4885
US-20220175904-A1 METHODS AND COMPOSITIONS RELATING TO SYNTHETIC BETA-1,6 GLUCOSAMINE OLIGOSACCHARIDES FUT6, B3GAT3, OGT ALDH1A1 1758/4885CYP2C19 3150/4885POLB 1847/4885
US-20190117754-A1 METHODS AND COMPOSITIONS RELATING TO SYNTHETIC BETA-1,6 GLUCOSAMINE OLIGOSACCHARIDES FUT6, OGT, FUT5 ALDH1A1 1870/4885CYP2C19 3762/4885POLB 1155/4885

“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.