SCHEMBL4544694

SCHEMBL4544694

CC(c1cccs1)N(Cc1ccco1)C(=O)C(NS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1)c1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OGT O15294 6/20 0.75
NPSR1 Q6W5P4 3/20 0.46
HTT P42858 2/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 7/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PKM P14618 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
SCHEMBL17407095 0.86 OGT (1.00) OGTHTTALDH1A1LMNAMAPT
SCHEMBL2634054 0.86 OGT (1.00) OGTHTTALDH1A1LMNAMAPT
SCHEMBL17407093 0.86 OGT (1.00) OGTHTTALDH1A1LMNAMAPT
SCHEMBL4544735 0.85 OGT (0.74) OGTHTTALDH1A1LMNAMAPT
SCHEMBL17406942 0.85 OGT (0.74) OGTHTTALDH1A1LMNAMAPT
SCHEMBL17407099 0.84 OGT (0.84) OGTNPSR1HTTALDH1A1LMNA
SCHEMBL4544678 0.83 OGT (1.00) OGTALDH1A1MAPTTSHRSMN1; SMN2
SCHEMBL12972990 0.83 OGT (0.54) OGTLMNAMAPTTSHRPKM
SCHEMBL17406938 0.81 OGT (0.88) OGTHTTALDH1A1LMNAMAPT
SCHEMBL17406928 0.81 OGT (0.86) OGTHTTALDH1A1LMNAMAPT

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-20170166558-A1 O-GLCNAC TRANSFERASE (OGT) INHIBITORS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-06-15 US disclosed
US-20170166558-A1 O-GLCNAC TRANSFERASE (OGT) INHIBITORS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-06-15 US disclosed
WO-2016004180-A1 O-GLCNAC TRANSFERASE (OGT) INHIBITORS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-01-07 WO disclosed
US-8957075-B2 O-GlcNAc transferase inhibitors and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-02-17 US disclosed
US-8957075-B2 O-GlcNAc transferase inhibitors and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-02-17 US disclosed
US-20120108605-A1 O-GLCNAC TRANSFERASE INHIBITORS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-05-03 US disclosed
US-20120108605-A1 O-GLCNAC TRANSFERASE INHIBITORS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-05-03 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 (2 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-20170166558-A1 O-GLCNAC TRANSFERASE (OGT) INHIBITORS AND USES THEREOF OGA, OGT, CSGALNACT1 OGT 2/4885NPSR1 3693/4885HTT 451/4885
US-20120108605-A1 O-GLCNAC TRANSFERASE INHIBITORS AND USES THEREOF OGA, OGT, UGGT1 OGT 2/4885NPSR1 4294/4885HTT 1171/4885

“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.