SCHEMBL3414517

SCHEMBL3414517

O=S(=O)(N[C@H]1CCC[C@@H]1O)c1ccc(Br)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 8/20 0.64
MMP13 P45452 8/20 0.64
MAPK1 P28482 1/20 0.58
HTT P42858 1/20 0.58
HSP90AA1 P07900 1/20 0.55
MMP9 P14780 7/20 0.48
MMP14 P50281 6/20 0.48
MMP1 P03956 3/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
MMP8 P22894 1/20 0.47
MMP3 P08254 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 1/20 0.46
RECQL P46063 1/20 0.46
ALDH1A1 P00352 3/20 0.46
GAA P10253 1/20 0.46
MMP7 P09237 1/20 0.44
APP P05067 1/20 0.43
GRIA4 P48058 2/20 0.43

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
SCHEMBL13505088 1.00 MMP2 (0.64) MMP2MMP13MAPK1HTTHSP90AA1
SCHEMBL21751532 0.84 MMP2 (0.64) MMP2MMP13MMP9MMP14MMP1
SCHEMBL8068632 0.84 MMP2 (0.64) MMP2MMP13MMP9MMP14MMP1
SCHEMBL21751533 0.84 MMP2 (0.64) MMP2MMP13MMP9MMP14MMP1
SCHEMBL30613684 0.84 MMP2 (0.64) MMP2MMP13MMP9MMP14MMP1
SCHEMBL31310951 0.84 MMP2 (0.76) MMP2MMP13MMP9MMP14MMP1
SCHEMBL31310960 0.84 MMP2 (0.76) MMP2MMP13MMP9MMP14MMP1
SCHEMBL26536260 0.84 MMP2 (0.76) MMP2MMP13MMP9MMP14MMP1
SCHEMBL15969143 0.81 MMP2 (0.60) MMP2MMP13MAPK1HTTHSP90AA1
SCHEMBL14842581 0.81 MMP2 (0.60) MMP2MMP13MAPK1HTTHSP90AA1

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 13 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
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-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
WO-2008034860-A1 PYRROLO[2, 3-B]PYRIDIN-4-YL-BENZENESULFONAMIDE COMPOUNDS AS IKK2 INHIBITORS GLAXO GROUP LIMITED (GB) 2008-03-27 WO 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 MMP2 4333/4885MMP13 4595/4885MAPK1 97/4885
US-20100035917-A1 PYRROLO[2,3-B]PYRIDIN-4-YL-BENZENESULFONAMIDE COMPOUNDS AS 1KK2 INHIBITORS PLK2, PDXK, MAP4K2 MMP2 4071/4885MMP13 4300/4885MAPK1 155/4885
US-20080146606-A1 NOVEL COMPOUNDS NFKBIA, IKBKG, IKBKE MMP2 4333/4885MMP13 4595/4885MAPK1 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.