SCHEMBL3417814

SCHEMBL3417814

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

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.63
KDM4E B2RXH2 3/20 0.62
MAPK1 P28482 2/20 0.60
HTT P42858 1/20 0.60
TDO2 P48775 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.49
RECQL P46063 1/20 0.49
HSP90AA1 P07900 1/20 0.47
HSD17B10 Q99714 2/20 0.46
ALDH1A1 P00352 2/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
IKBKB O14920 1/20 0.44
CHUK O15111 1/20 0.44
KDM1A O60341 1/20 0.43
MAOB P27338 1/20 0.43
LMNA P02545 1/20 0.43
HTR1A P08908 1/20 0.43
HTR7 P34969 1/20 0.43
CA1 P00915 1/20 0.42

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
SCHEMBL3411208 1.00 KMT2A (0.63) KMT2AKDM4EMAPK1HTTTDO2
SCHEMBL3418171 1.00 KMT2A (0.63) KMT2AKDM4EMAPK1HTTTDO2
SCHEMBL3415505 0.91 MAPK1 (0.69) KMT2AKDM4EMAPK1HTTSMN1; SMN2
SCHEMBL28544395 0.84 KMT2A (0.70) KMT2AKDM4EMAPK1HTTTDO2
SCHEMBL3418174 0.84 MAPK1 (0.59) KMT2AKDM4EMAPK1HTTSMN1; SMN2
SCHEMBL3411214 0.84 MAPK1 (0.59) KMT2AKDM4EMAPK1HTTSMN1; SMN2
SCHEMBL3417817 0.84 MAPK1 (0.59) KMT2AKDM4EMAPK1HTTSMN1; SMN2
SCHEMBL3416565 0.81 KMT2A (0.59) KMT2AKDM4EMAPK1HTTTDO2
SCHEMBL21407131 0.81 KMT2A (0.62) KMT2AKDM4EMAPK1HTTTDO2
SCHEMBL1659340 0.80 MAPK1 (0.83) KMT2AKDM4EMAPK1HTTSMN1; 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 10 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
US-20100035917-A1 PYRROLO[2,3-B]PYRIDIN-4-YL-BENZENESULFONAMIDE COMPOUNDS AS 1KK2 INHIBITORS GLAXO GROUP LIMITED (GB) 2010-02-11 US 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
US-20080176891-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-07-24 US disclosed
US-20080176891-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-07-24 US 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
US-20080146606-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-06-19 US disclosed
US-20080146606-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-06-19 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 (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 1848/4885MAPK1 97/4885
US-20100035917-A1 PYRROLO[2,3-B]PYRIDIN-4-YL-BENZENESULFONAMIDE COMPOUNDS AS 1KK2 INHIBITORS PLK2, PDXK, MAP4K2 KMT2A 896/4885KDM4E 594/4885MAPK1 155/4885
US-20080146606-A1 NOVEL COMPOUNDS NFKBIA, IKBKG, IKBKE KMT2A 1322/4885KDM4E 1848/4885MAPK1 97/4885

“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.