SCHEMBL4544735

SCHEMBL4544735

CN(Cc1ccco1)C(=O)C(NS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1)c1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OGT O15294 9/20 0.74
ALDH1A1 P00352 3/20 0.51
MAPT P10636 3/20 0.51
POLB P06746 6/20 0.46
RXFP1 Q9HBX9 1/20 0.46
PKM P14618 3/20 0.45
TP53 P04637 3/20 0.43
TDP1 Q9NUW8 3/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CASP1 P29466 1/20 0.43
CYP2C19 P33261 1/20 0.43
RECQL P46063 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL17406942 1.00 OGT (0.74) OGTALDH1A1MAPTPOLBRXFP1
SCHEMBL2634054 0.85 OGT (1.00) OGTALDH1A1MAPTPOLBRXFP1
SCHEMBL17407095 0.85 OGT (1.00) OGTALDH1A1MAPTPOLBRXFP1
SCHEMBL17407093 0.85 OGT (1.00) OGTALDH1A1MAPTPOLBRXFP1
SCHEMBL17406933 0.85 OGT (0.74) OGTALDH1A1MAPTPOLBRXFP1
SCHEMBL4544694 0.85 OGT (0.75) OGTALDH1A1MAPTPKMMEN1
SCHEMBL17406935 0.84 OGT (0.66) OGTALDH1A1MAPTPOLBPKM
SCHEMBL4544671 0.83 OGT (0.73) OGTALDH1A1MAPTPOLBRXFP1
SCHEMBL18965101 0.83 OGT (0.52) OGTALDH1A1MAPTPOLBRXFP1
SCHEMBL18960088 0.83 OGT (0.52) OGTALDH1A1MAPTPOLBRXFP1

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 6 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

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 2/4885ALDH1A1 995/4885MAPT 527/4885
US-20120108605-A1 O-GLCNAC TRANSFERASE INHIBITORS AND USES THEREOF OGA, OGT, UGGT1 OGT 2/4885ALDH1A1 1153/4885MAPT 759/4885

“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.