SCHEMBL3416565

SCHEMBL3416565

O=S1(=O)CC[C@@H](NS(=O)(=O)c2ccc(B(O)O)cc2)C1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.59
KDM4E B2RXH2 3/20 0.58
TDO2 P48775 1/20 0.48
MAPK1 P28482 2/20 0.45
RECQL P46063 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 1/20 0.44
IKBKB O14920 2/20 0.41
CHUK O15111 2/20 0.41
POLB P06746 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HTT P42858 2/20 0.41
GAA P10253 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP3A4 P08684 1/20 0.39
TSHR P16473 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
SCHEMBL29955891 0.92 KDM4E (0.51) KMT2AKDM4EMAPK1RECQLSMN1; SMN2
SCHEMBL3416562 0.86 KDM4E (0.45) KMT2AKDM4ETDO2MAPK1RECQL
SCHEMBL28544395 0.84 KMT2A (0.70) KMT2AKDM4ETDO2MAPK1RECQL
SCHEMBL2411241 0.82 SMN1; SMN2 (0.61) KMT2AKDM4EMAPK1RECQLSMN1; SMN2
SCHEMBL3411208 0.81 KMT2A (0.63) KMT2AKDM4ETDO2MAPK1RECQL
SCHEMBL3418171 0.81 KMT2A (0.63) KMT2AKDM4ETDO2MAPK1RECQL
SCHEMBL3417814 0.81 KMT2A (0.63) KMT2AKDM4ETDO2MAPK1RECQL
SCHEMBL14485052 0.78 SMN1; SMN2 (0.71) KMT2AKDM4EMAPK1RECQLSMN1; SMN2
SCHEMBL13013859 0.78 KDM4E (0.50) KMT2AKDM4ETDO2MAPK1RECQL
SCHEMBL2192047 0.77 KDM4E (0.54) KMT2AKDM4EMAPK1RECQLSMN1; SMN2

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
EP-2069341-B1 PYRROLO[2, 3-B]PYRIDIN-4-YL-BENZENESULFONAMIDE COMPOUNDS AS IKK2 INHIBITORS GLAXO GROUP LTD (GB) 2010-12-29 EP disclosed
US-20100035917-A1 PYRROLO[2,3-B]PYRIDIN-4-YL-BENZENESULFONAMIDE COMPOUNDS AS 1KK2 INHIBITORS GLAXO GROUP LIMITED (GB) 2010-02-11 US disclosed
EP-2069341-A1 PYRROLO[2, 3-B]PYRIDIN-4-YL-BENZENESULFONAMIDE COMPOUNDS AS IKK2 INHIBITORS Glaxo Group Limited (GB) 2009-06-17 EP disclosed
US-20080176891-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-07-24 US disclosed
US-20080146606-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-06-19 US disclosed
WO-2008034860-A1 PYRROLO[2, 3-B]PYRIDIN-4-YL-BENZENESULFONAMIDE COMPOUNDS AS IKK2 INHIBITORS GLAXO GROUP LIMITED (GB) 2008-03-27 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-20080176891-A1 NOVEL COMPOUNDS NFKBIA, IKBKG, IKBKE KMT2A 1322/4885KDM4E 1848/4885TDO2 2262/4885
US-20100035917-A1 PYRROLO[2,3-B]PYRIDIN-4-YL-BENZENESULFONAMIDE COMPOUNDS AS 1KK2 INHIBITORS PLK2, PDXK, MAP4K2 KMT2A 896/4885KDM4E 594/4885TDO2 1057/4885
US-20080146606-A1 NOVEL COMPOUNDS NFKBIA, IKBKG, IKBKE KMT2A 1322/4885KDM4E 1848/4885TDO2 2262/4885

“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.