SCHEMBL470421

SCHEMBL470421

Cc1ccc(S(=O)(=O)n2ncc3cc(Br)cnc32)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 3/20 0.50
ENPP1 P22413 2/20 0.50
MAPT P10636 4/20 0.43
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
ABL1 P00519 1/20 0.39
BCR P11274 1/20 0.39
SLC9A1 P19634 1/20 0.38
ALDH1A1 P00352 5/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HDAC8 Q9BY41 1/20 0.37
EGFR P00533 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
MAPK1 P28482 2/20 0.36
USP2 O75604 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
SCHEMBL31156949 1.00 ENPP3 (0.50) ENPP3ENPP1MAPTMEN1KMT2A
SCHEMBL1249967 0.86 ENPP3 (0.48) ENPP3ENPP1MAPTMEN1KMT2A
SCHEMBL29606592 0.80 ENPP3 (0.54) ENPP3ENPP1MAPTMEN1KMT2A
SCHEMBL1272465 0.80 OPRD1 (0.45) ENPP3ENPP1MAPTMEN1KMT2A
SCHEMBL1713486 0.78 L3MBTL1 (0.61) ENPP3ENPP1MEN1KMT2AL3MBTL1
SCHEMBL17581423 0.78 SLC9A1 (0.44) ENPP3ENPP1MAPTMEN1KMT2A
SCHEMBL18211693 0.78 MAPT (0.40) MAPTMEN1KMT2AL3MBTL1NR1H2
SCHEMBL22669487 0.77 MAPT (0.43) MAPTMEN1KMT2ANR1H2NR1H3
SCHEMBL30280392 0.76 ENPP3 (0.48) ENPP3ENPP1MAPTMEN1KMT2A
SCHEMBL30298892 0.76 MAPT (0.43) MAPTMEN1KMT2AL3MBTL1NR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160326162-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2016-11-10 US disclosed
US-20160326162-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2016-11-10 US disclosed
WO-2016164641-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2016-10-13 WO disclosed
US-9326987-B2 Indazole derivatives for use in the treatment of influenza virus infection GLAXO GROUP LIMITED (GB) 2016-05-03 US disclosed
US-9326987-B2 Indazole derivatives for use in the treatment of influenza virus infection GLAXO GROUP LIMITED (GB) 2016-05-03 US disclosed
US-9326987-B2 Indazole derivatives for use in the treatment of influenza virus infection GLAXO GROUP LIMITED (GB) 2016-05-03 US disclosed
US-20130165433-A1 Novel Use GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2013-06-27 US disclosed
US-20130165433-A1 Novel Use GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2013-06-27 US disclosed
US-20130165433-A1 Novel Use GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2013-06-27 US disclosed
US-20120245171-A1 BENZPYRAZOLE DERIVATIVES AS INHIBITORS OF PI3 KINASES GLAXO GROUP LIMITED (GB) 2012-09-27 US disclosed
US-20120245171-A1 BENZPYRAZOLE DERIVATIVES AS INHIBITORS OF PI3 KINASES GLAXO GROUP LIMITED (GB) 2012-09-27 US disclosed
US-20120245171-A1 BENZPYRAZOLE DERIVATIVES AS INHIBITORS OF PI3 KINASES GLAXO GROUP LIMITED (GB) 2012-09-27 US disclosed
US-20120238559-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-09-20 US disclosed
US-20120238559-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-09-20 US disclosed
US-20120238559-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-09-20 US disclosed
WO-2012032065-A1 INDAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF INFLUENZA VIRUS INFECTION GLAXO GROUP LIMITED (GB) 2012-03-15 WO disclosed
WO-2011067364-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-06-09 WO disclosed
WO-2011067365-A1 BENZPYRAZOLE DERIVATIVES AS INHIBITORS OF P13 KINASES GLAXO GROUP LIMITED (GB) 2011-06-09 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 (4 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-20130165433-A1 Novel Use HAVCR2, MAVS, ENTPD5 ENPP3 276/4885ENPP1 382/4885MAPT 3121/4885
US-20120238559-A1 NOVEL COMPOUNDS PIK3CA, PIK3CD, PIK3C2B ENPP3 869/4885ENPP1 620/4885MAPT 2143/4885
US-20120245171-A1 BENZPYRAZOLE DERIVATIVES AS INHIBITORS OF PI3 KINASES PIK3C3, PIK3CA, PIK3CD ENPP3 698/4885ENPP1 816/4885MAPT 2733/4885
US-20160326162-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K11, MAP4K2, PLK1 ENPP3 3678/4885ENPP1 3067/4885MAPT 631/4885

“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.