SCHEMBL12564282

SCHEMBL12564282

CC(=O)CCNC(=O)CBr

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.46
ALDH1A1 P00352 2/20 0.41
FAAH O00519 1/20 0.39
HDAC3 O15379 2/20 0.39
HDAC4 P56524 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC7 Q8WUI4 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC10 Q969S8 2/20 0.39
HDAC11 Q96DB2 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HDAC9 Q9UKV0 2/20 0.39
HDAC5 Q9UQL6 2/20 0.39
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ECE1 P42892 1/20 0.35
LMNA P02545 1/20 0.35
SLC15A2 Q16348 1/20 0.35
CASP2 P42575 1/20 0.34

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
SCHEMBL10220881 0.83 HDAC3 (0.53) ALDH1A1FAAHHDAC3HDAC4HDAC1
SCHEMBL27331722 0.80 ALDH1A1 (0.45) ALDH1A1FAAHMEN1KMT2AECE1
SCHEMBL14978924 0.80 MEN1 (0.39) TRPA1ALDH1A1FAAHHDAC3HDAC4
SCHEMBL12564384 0.79 LMNA (0.43) TRPA1ALDH1A1FAAHHDAC3HDAC4
SCHEMBL10866810 0.79 HDAC3 (0.41) TRPA1ALDH1A1FAAHHDAC3HDAC4
SCHEMBL13116105 0.78 MEN1 (0.61) ALDH1A1FAAHMEN1KMT2AECE1
SCHEMBL2032064 0.78 ECE1 (0.58) FAAHHDAC3HDAC4HDAC1HDAC7
SCHEMBL17488363 0.78 KDM4E (0.50) TRPA1ALDH1A1FAAHHDAC3HDAC4
SCHEMBL22345533 0.77 TSHR (0.50) ALDH1A1FAAHHDAC3HDAC4HDAC1
SCHEMBL19720093 0.76 FAAH (0.48) ALDH1A1FAAHMEN1KMT2ACASP2

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 14 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
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
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-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-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-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
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 TRPA1 4828/4885ALDH1A1 1819/4885FAAH 2687/4885
US-20140037633-A1 METHODS AND COMPOSITIONS RELATING TO SYNTHETIC BETA-1,6 GLUCOSAMINE OLIGOSACCHARIDES FUT6, OGT, FUT5 TRPA1 4865/4885ALDH1A1 1870/4885FAAH 2510/4885
US-20110150880-A1 METHODS AND COMPOSITIONS RELATING TO SYNTHETIC BETA-1,6 GLUCOSAMINE OLIGOSACCHARIDES FUT6, OGT, FUT5 TRPA1 4865/4885ALDH1A1 1870/4885FAAH 2510/4885
US-10034927-B2 Methods and compositions relating to synthetic beta-1,6 glucosamine oligosaccharides FUT6, B3GAT3, OGT TRPA1 4828/4885ALDH1A1 1819/4885FAAH 2687/4885
US-11123416-B2 Methods and compositions relating to synthetic beta-1,6 glucosamine oligosaccharides FUT6, B3GAT3, OGT TRPA1 4828/4885ALDH1A1 1819/4885FAAH 2687/4885
US-20220175904-A1 METHODS AND COMPOSITIONS RELATING TO SYNTHETIC BETA-1,6 GLUCOSAMINE OLIGOSACCHARIDES FUT6, B3GAT3, OGT TRPA1 4837/4885ALDH1A1 1758/4885FAAH 2792/4885
US-20190117754-A1 METHODS AND COMPOSITIONS RELATING TO SYNTHETIC BETA-1,6 GLUCOSAMINE OLIGOSACCHARIDES FUT6, OGT, FUT5 TRPA1 4865/4885ALDH1A1 1870/4885FAAH 2510/4885

“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.