SCHEMBL2634054

SCHEMBL2634054

O=C(C(NS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1)c1ccccc1)N(Cc1ccco1)Cc1cccs1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OGT O15294 6/20 1.00
ALDH1A1 P00352 7/20 0.43
KDM4E B2RXH2 4/20 0.43
PKM P14618 3/20 0.43
HSD17B10 Q99714 2/20 0.43
RECQL P46063 1/20 0.43
TSHR P16473 3/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 2/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 2/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.39
NPC1 O15118 1/20 0.39
USP2 O75604 1/20 0.39
ALOX15 P16050 1/20 0.39
HPGD P15428 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38

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 1.00 OGT (1.00) OGTALDH1A1KDM4EPKMHSD17B10
SCHEMBL17407093 1.00 OGT (1.00) OGTALDH1A1KDM4EPKMHSD17B10
SCHEMBL17407097 0.94 OGT (0.89) OGTALDH1A1KDM4EPKMHSD17B10
SCHEMBL17406938 0.93 OGT (0.88) OGTALDH1A1KDM4EPKMHSD17B10
SCHEMBL17407100 0.93 OGT (0.88) OGTALDH1A1KDM4EPKMHSD17B10
SCHEMBL17407098 0.93 OGT (0.88) OGTALDH1A1KDM4EPKMHSD17B10
SCHEMBL17406954 0.93 OGT (0.88) OGTALDH1A1KDM4EPKMHSD17B10
SCHEMBL17406953 0.93 OGT (0.86) OGTALDH1A1KDM4EPKMHSD17B10
SCHEMBL17406928 0.93 OGT (0.86) OGTALDH1A1KDM4EPKMHSD17B10
SCHEMBL18965302 0.93 OGT (0.86) OGTALDH1A1KDM4EPKMHSD17B10

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 12 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-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
US-20120108605-A1 O-GLCNAC TRANSFERASE INHIBITORS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-05-03 US disclosed
EP-2438046-A2 O-GLCNAC TRANSFERASE INHIBITORS AND USES THEREOF President and Fellows of Harvard College (US) 2012-04-11 EP disclosed
WO-2010141074-A2 O-GLCNAC TRANSFERASE INHIBITORS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2010-12-09 WO disclosed
WO-2010141074-A2 O-GLCNAC TRANSFERASE INHIBITORS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2010-12-09 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 (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 995/4885KDM4E 1139/4885
US-20120108605-A1 O-GLCNAC TRANSFERASE INHIBITORS AND USES THEREOF OGA, OGT, UGGT1 OGT 2/4885ALDH1A1 1153/4885KDM4E 1810/4885

“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.