SCHEMBL608505

SCHEMBL608505

O=[N+]([O-])c1ccc(Nc2ccc(S(=O)(=O)O)cc2)c([N+](=O)[O-])c1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.68
MEN1 O00255 7/20 0.68
KMT2A Q03164 7/20 0.68
MAPK1 P28482 4/20 0.68
TDP1 Q9NUW8 5/20 0.63
ALDH1A1 P00352 4/20 0.63
L3MBTL1 Q9Y468 3/20 0.63
POLB P06746 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
NT5E P21589 1/20 0.56
GFER P55789 2/20 0.56
ALDH3A1 P30838 6/20 0.54
KDM4E B2RXH2 1/20 0.51
GAA P10253 1/20 0.51
ATM Q13315 1/20 0.51
LMNA P02545 2/20 0.50
WNK1 Q9H4A3 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50

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
SCHEMBL608504 1.00 MAPT (0.68) MAPTMEN1KMT2AMAPK1TDP1
SCHEMBL10628214 0.87 MAPT (0.54) MAPTMEN1KMT2AMAPK1TDP1
SCHEMBL31098648 0.86 MEN1 (0.82) MAPTMEN1KMT2AMAPK1TDP1
SCHEMBL10723977 0.86 MAPT (0.68) MAPTMEN1KMT2AMAPK1TDP1
SCHEMBL27653433 0.86 MAPT (0.72) MAPTMEN1KMT2AMAPK1TDP1
SCHEMBL141081 0.85 NT5E (0.60) MAPTMEN1KMT2AMAPK1TDP1
SCHEMBL7839318 0.84 MAPT (0.72) MAPTMEN1KMT2AMAPK1TDP1
SCHEMBL2328147 0.84 MEN1 (0.73) MAPTMEN1KMT2AMAPK1TDP1
SCHEMBL29546763 0.84 MEN1 (0.73) MAPTMEN1KMT2AMAPK1TDP1
SCHEMBL108329 0.83 NT5E (0.61) MAPTMEN1KMT2AMAPK1TDP1

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9828409-B2 Bridged-cyclo-ProTides as prodrugs of therapeutic nucleosides and nucleotides ZHONG MINGHONG (US) 2017-11-28 US disclosed
EP-1660507-B2 PROTEASOME INHIBITORS AND METHODS OF USING THE SAME MILLENNIUM PHARM INC (US) 2017-01-04 EP disclosed
US-9233115-B2 Proteasome inhibitors and methods of using the same MILLENNIUM PHARMACEUTICALS INC. (US) 2016-01-12 US disclosed
US-20150376219-A1 Selective Preparations of Purine Nucleosides and Nucleotides: Reagents and Methods ZHONG MINGHONG (US) 2015-12-31 US disclosed
US-20150266918-A1 Bridged-Cyclo-ProTides as Prodrugs of Therapeutic Nucleosides and Nucleotides ZHONG MINGHONG (US) 2015-09-24 US disclosed
US-20140088042-A1 Proteasome Inhibitors And Methods Of Using The Same CEPHALON, INC. (US) 2014-03-27 US disclosed
US-20130267681-A1 CHEMICAL LIGATION BY RING OPENING OF OXO-THIOMORPHOLINES THE UNIVERSITY OF READING (GB) 2013-10-10 US disclosed
US-8546608-B2 Proteasome inhibitors and methods of using the same CEPHALON, INC. (US) 2013-10-01 US disclosed
US-8283367-B2 Proteasome inhibitors and methods of using the same CEPHALON, INC. (US) 2012-10-09 US disclosed
US-20120041196-A1 Proteasome Inhibitors and Methods of Using the Same CEPHALON, INC. (US) 2012-02-16 US disclosed
EP-1660507-B1 PROTEASOME INHIBITORS AND METHODS OF USING THE SAME CEPHALON INC (US) 2009-08-05 EP disclosed
US-20090075936-A1 Proteasome inhibitors and methods of using the same CEPHALON, INC. (US) 2009-03-19 US disclosed
US-7468383-B2 Proteasome inhibitors and methods of using the same CEPHALON, INC. (US) 2008-12-23 US disclosed
US-20080207891-A1 Methods For Selective N-9 Glycosylation of Purines BRIGHAM YOUNG UNIVERSITY (US) 2008-08-28 US disclosed
EP-1846424-A1 PROTEASOME INHIBITORS AND METHODS OF USING THE SAME CEPHALON, INC. (US) 2007-10-24 EP disclosed
US-20060189806-A1 Proteasome inhibitors and methods of using the same CEPHALON, INC. (US) 2006-08-24 US disclosed
WO-2006086600-A1 PROTEASOME INHIBITORS AND METHODS OF USING THE SAME CEPHALON, INC. (US) 2006-08-17 WO disclosed
EP-1660507-A2 PROTEASOME INHIBITORS AND METHODS OF USING THE SAME CEPHALON, INC. (US) 2006-05-31 EP disclosed
US-20050107307-A1 Proteasome inhibitors and methods of using the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-05-19 US disclosed
WO-2005021558-A2 PROTEASOME INHIBITORS AND METHODS OF USING THE SAME CEPHALON, INC. (US) 2005-03-10 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 (9 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-20120041196-A1 Proteasome Inhibitors and Methods of Using the Same PSMB11, PSMB5, PSMB6 MAPT 2121/4885MEN1 2324/4885KMT2A 2266/4885
US-20050107307-A1 Proteasome inhibitors and methods of using the same PSMB11, PSMB5, PSMB6 MAPT 2121/4885MEN1 2324/4885KMT2A 2266/4885
US-20080207891-A1 Methods For Selective N-9 Glycosylation of Purines PNP, SLC29A2, SLC28A2 MAPT 3797/4885MEN1 4587/4885KMT2A 3334/4885
US-20150266918-A1 Bridged-Cyclo-ProTides as Prodrugs of Therapeutic Nucleosides and Nucleotides TYMP, ENPP3, PNP MAPT 3787/4885MEN1 1664/4885KMT2A 4485/4885
US-20140088042-A1 Proteasome Inhibitors And Methods Of Using The Same PSMB11, PSMB5, PSMB6 MAPT 2121/4885MEN1 2324/4885KMT2A 2266/4885
US-20060189806-A1 Proteasome inhibitors and methods of using the same PSMB11, PSMB5, PSMB6 MAPT 2047/4885MEN1 2309/4885KMT2A 2205/4885
US-20090075936-A1 Proteasome inhibitors and methods of using the same PSMB11, PSMB5, PSMB6 MAPT 2047/4885MEN1 2309/4885KMT2A 2205/4885
US-20130267681-A1 CHEMICAL LIGATION BY RING OPENING OF OXO-THIOMORPHOLINES PTMS, DNPEP, TAC3 MAPT 1730/4885MEN1 2130/4885KMT2A 3447/4885
US-20150376219-A1 Selective Preparations of Purine Nucleosides and Nucleotides: Reagents and Methods PNP, ATIC, NT5C3B MAPT 4611/4885MEN1 940/4885KMT2A 3662/4885

“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.