SCHEMBL4166790

SCHEMBL4166790

Cc1ccc(S(=O)(=O)n2cc(B(O)O)c3cc(-c4ccccc4)cnc32)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.52
BRD4 O60885 5/20 0.47
L3MBTL1 Q9Y468 3/20 0.46
KDM4E B2RXH2 1/20 0.41
UBE2N P61088 1/20 0.41
GAA P10253 1/20 0.40
AGTR1 P30556 1/20 0.40
POLB P06746 1/20 0.40
ALDH3A1 P30838 1/20 0.40
HTT P42858 1/20 0.40
NOD1 Q9Y239 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CD4 P01730 2/20 0.39
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
GSK3B P49841 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
SCHEMBL22330311 0.86 PTPN11 (0.43) PTPN11BRD4L3MBTL1KDM4EUBE2N
SCHEMBL1850782 0.84 BRD4 (0.64) PTPN11BRD4L3MBTL1KDM4EUBE2N
SCHEMBL4163963 0.84 PTPN11 (0.52) PTPN11BRD4L3MBTL1KDM4EUBE2N
SCHEMBL14487988 0.84 CYP3A4 (0.45) PTPN11BRD4L3MBTL1KDM4EUBE2N
SCHEMBL23247697 0.81 L3MBTL1 (0.55) PTPN11BRD4L3MBTL1KDM4EUBE2N
SCHEMBL4171120 0.80 PTPN11 (0.75) PTPN11BRD4L3MBTL1
SCHEMBL28504421 0.79 HTR6 (0.43) PTPN11BRD4POLB
SCHEMBL2447588 0.79 L3MBTL1 (0.55) L3MBTL1KDM4EUBE2NGAAPOLB
SCHEMBL14883464 0.79 CYP3A4 (0.43) PTPN11BRD4L3MBTL1KDM4EUBE2N
SCHEMBL28506183 0.78 HTR6 (0.45) PTPN11BRD4LMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120238588-A1 1H-Pyrrolo[2,3-B]Pyridines GlaxoSmithKline, LLC 2012-09-20 US disclosed
US-20090233955-A1 1H-Pyrrolo[2,3-B]Pyridnes GLAXOSMITHKLINE LLC 2009-09-17 US disclosed
EP-1828180-A1 1H-PYRROLO[2,3-BETA]PYRIDINES SMITHKLINE BEECHAM CORPORATION (US) 2007-09-05 EP disclosed
WO-2006063167-A1 1H-PYRROLO[2,3-B]PYRIDINES SMITHKLINE BEECHAM CORPORATION (US) 2006-06-15 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 (2 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-20090233955-A1 1H-Pyrrolo[2,3-B]Pyridnes SGK1, SGK2, SGK3 PTPN11 641/4885BRD4 939/4885L3MBTL1 4480/4885
US-20120238588-A1 1H-Pyrrolo[2,3-B]Pyridines SGK1, SGK2, SGK3 PTPN11 609/4885BRD4 767/4885L3MBTL1 4474/4885

“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.