SCHEMBL1286771

SCHEMBL1286771

NS(=O)(=O)c1ccc2c(ccc[n+]2[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.56
CA2 P00918 12/20 0.45
CA1 P00915 9/20 0.45
CA9 Q16790 8/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CA12 O43570 7/20 0.40
CA4 P22748 5/20 0.40
CA14 Q9ULX7 5/20 0.40
CA5A P35218 5/20 0.39
CA6 P23280 4/20 0.39
CA7 P43166 4/20 0.39
CA5B Q9Y2D0 4/20 0.39
PKM P14618 2/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 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
SCHEMBL1778288 0.81 HTR6 (0.45) LMNAPOLBKDM4EMAPT
SCHEMBL1771699 0.76 ALDH1A1 (0.45) LMNAMEN1KMT2ATDP1KDM4E
SCHEMBL20996058 0.76 ATM (0.39) TDP1KDM4EMAPT
SCHEMBL193716 0.72 LMNA (1.00) LMNACA2CA1CA9MEN1
SCHEMBL5792614 0.72 LCK (0.43) POLBTDP1KDM4EMAPT
SCHEMBL3264399 0.72 MEN1 (0.47) MEN1KMT2APOLBTDP1MAPT
SCHEMBL2798405 0.72 KDM4E (0.45) LMNAMEN1KMT2ATDP1KDM4E
SCHEMBL369538 0.72 CYP2A6 (0.45) MEN1KMT2AKDM4EMAPT
SCHEMBL1826895 0.72 CYP2A6 (0.45) LMNAMEN1KMT2AGAAMAPT
SCHEMBL607157 0.72 CYP1A2 (0.45) MAPT

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
CN-116462740-A Design method for optimizing and improving OGT-polypeptide binding affinity 江南大学 2023-07-21 CN disclosed
US-20210346367-A1 O-GLCNAC TRANSFERASE INHIBITORS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2021-11-11 US disclosed
WO-2020047251-A1 O-GLCNAC TRANSFERASE INHIBITORS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2020-03-05 WO disclosed
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
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-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-A3 O-GLCNAC TRANSFERASE INHIBITORS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2011-03-31 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 (3 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 LMNA 4673/4885CA2 2224/4885CA1 3231/4885
US-20210346367-A1 O-GLCNAC TRANSFERASE INHIBITORS AND USES THEREOF OGT, OGA, UGGT1 LMNA 3041/4885CA2 1093/4885CA1 650/4885
US-20120108605-A1 O-GLCNAC TRANSFERASE INHIBITORS AND USES THEREOF OGA, OGT, UGGT1 LMNA 4381/4885CA2 1422/4885CA1 1550/4885

“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.