SCHEMBL3416562

SCHEMBL3416562

O=S(=O)(N[C@@H]1CCS(O)(O)C1)c1ccc(B(O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
RECQL P46063 1/20 0.45
KMT2A Q03164 4/20 0.43
ALDH1A1 P00352 5/20 0.40
LMNA P02545 2/20 0.40
HPGD P15428 1/20 0.40
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
ENPP2 Q13822 1/20 0.39
MEN1 O00255 2/20 0.39
TDO2 P48775 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL3416565 0.86 KMT2A (0.59) KDM4ESMN1; SMN2RECQLKMT2AALDH1A1
SCHEMBL29955891 0.83 KDM4E (0.51) KDM4ESMN1; SMN2RECQLKMT2AALDH1A1
SCHEMBL3417817 0.83 MAPK1 (0.59) KDM4ESMN1; SMN2RECQLKMT2AALDH1A1
SCHEMBL3411214 0.83 MAPK1 (0.59) KDM4ESMN1; SMN2RECQLKMT2AALDH1A1
SCHEMBL3418174 0.83 MAPK1 (0.59) KDM4ESMN1; SMN2RECQLKMT2AALDH1A1
SCHEMBL2411241 0.82 SMN1; SMN2 (0.61) KDM4ESMN1; SMN2RECQLKMT2AALDH1A1
SCHEMBL14485052 0.78 SMN1; SMN2 (0.71) KDM4ESMN1; SMN2RECQLKMT2AALDH1A1
SCHEMBL2192046 0.77 KDM4E (0.54) KDM4ESMN1; SMN2RECQLKMT2AALDH1A1
SCHEMBL2192047 0.77 KDM4E (0.54) KDM4ESMN1; SMN2RECQLKMT2AALDH1A1
SCHEMBL2991769 0.75 ALDH1A1 (0.64) KDM4ESMN1; SMN2RECQLKMT2AALDH1A1

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 KDM4E 1848/4885SMN1; SMN2 3855/4885RECQL 2757/4885
US-20100035917-A1 PYRROLO[2,3-B]PYRIDIN-4-YL-BENZENESULFONAMIDE COMPOUNDS AS 1KK2 INHIBITORS PLK2, PDXK, MAP4K2 KDM4E 594/4885SMN1; SMN2 3281/4885RECQL 2415/4885
US-20080146606-A1 NOVEL COMPOUNDS NFKBIA, IKBKG, IKBKE KDM4E 1848/4885SMN1; SMN2 3855/4885RECQL 2757/4885

“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.