SCHEMBL8060912

SCHEMBL8060912

CN(C)C(=O)c1cc([N+](=O)[O-])cc(S(=O)(=O)NO)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.51
CA2 P00918 4/20 0.51
MMP1 P03956 3/20 0.51
MMP2 P08253 3/20 0.51
MMP9 P14780 3/20 0.51
MMP8 P22894 3/20 0.51
MMP13 P45452 3/20 0.51
KMT2A Q03164 3/20 0.47
HTT P42858 1/20 0.47
ATM Q13315 2/20 0.45
MEN1 O00255 2/20 0.42
HPGD P15428 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
HKDC1 Q2TB90 1/20 0.40
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP3A4 P08684 1/20 0.38
CA12 O43570 1/20 0.38
CA3 P07451 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
SCHEMBL8061102 0.82 POLB (0.54) CA1CA2MMP1MMP2MMP9
SCHEMBL4604584 0.80 ATM (0.63) KMT2AHTTATMMEN1HPGD
SCHEMBL8065099 0.78 CA1 (0.39) CA1CA2MMP1MMP2MMP9
SCHEMBL8061100 0.78 CA1 (0.37) CA1CA2MMP1MMP2MMP9
SCHEMBL8065983 0.74 CA1 (0.51) CA1CA2MMP1MMP2MMP9
SCHEMBL12633916 0.74 CA1 (0.34) CA1CA2MMP1MMP2MMP9
SCHEMBL13307458 0.74 ATM (0.56) KMT2AHTTATMMEN1HPGD
SCHEMBL12852909 0.74 ATM (0.60) KMT2AHTTATMMEN1HPGD
SCHEMBL7247261 0.74 HTT (0.54) KMT2AHTTATMMEN1HPGD
SCHEMBL8054571 0.73 ACLY (0.35) CA1CA2MMP1MMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9617208-B2 N-hydroxylsulfonamide derivatives as new physiologically useful nitroxyl donors CARDIOXYL PHARMACEUTICALS, INC. (US) 2017-04-11 US disclosed
US-9617208-B2 N-hydroxylsulfonamide derivatives as new physiologically useful nitroxyl donors CARDIOXYL PHARMACEUTICALS, INC. (US) 2017-04-11 US disclosed
EP-2504003-B1 NITROXYL DONORS FOR THE TREATMENT OF PULMONARY HYPERTENSION CARDIOXYL PHARMACEUTICALS INC (US) 2016-11-09 EP disclosed
US-20160081951-A1 NITROXYL DONORS FOR THE TREATMENT OF PULMONARY HYPERTENSION CARDIOXYL PHARMACEUTICALS, INC. 2016-03-24 US disclosed
US-20150336880-A1 N-HYDROXYLSULFONAMIDE DERIVATIVES AS NEW PHYSIOLOGICALLY USEFUL NITROXYL DONORS THE JOHNS HOPKINS UNIVERSITY 2015-11-26 US disclosed
US-20150336880-A1 N-HYDROXYLSULFONAMIDE DERIVATIVES AS NEW PHYSIOLOGICALLY USEFUL NITROXYL DONORS THE JOHNS HOPKINS UNIVERSITY 2015-11-26 US disclosed
US-9115064-B2 N-hydroxylsulfonamide derivatives as new physiologically useful nitroxyl donors THE JOHNS HOPKINS UNIVERSITY (US) 2015-08-25 US disclosed
US-9115064-B2 N-hydroxylsulfonamide derivatives as new physiologically useful nitroxyl donors THE JOHNS HOPKINS UNIVERSITY (US) 2015-08-25 US disclosed
US-20140194416-A1 N-HYDROXYLSULFONAMIDE DERIVATIVES AS NEW PHYSIOLOGICALLY USEFUL NITROXYL DONORS CARDIOXYL PHARMACEUTICALS, INC. (US) 2014-07-10 US disclosed
US-20140194416-A1 N-HYDROXYLSULFONAMIDE DERIVATIVES AS NEW PHYSIOLOGICALLY USEFUL NITROXYL DONORS CARDIOXYL PHARMACEUTICALS, INC. (US) 2014-07-10 US disclosed
US-8674132-B2 N-hydroxylsulfonamide derivatives as new physiologically useful nitroxyl donors THE JOHNS HOPKINS UNIVERSITY (US) 2014-03-18 US disclosed
US-20120258965-A1 N-HYDROXYLSULFONAMIDE DERIVATIVES AS NEW PHYSIOLOGICALLY USEFUL NITROXYL DONORS THE JOHNS HOPKINS UNIVERSITY (US) 2012-10-11 US disclosed
US-8227639-B2 N-hydroxylsulfonamide derivatives as new physiologically useful nitroxyl donors CARDIOXYL PHARMACEUTICALS (US) 2012-07-24 US disclosed
US-8227639-B2 N-hydroxylsulfonamide derivatives as new physiologically useful nitroxyl donors CARDIOXYL PHARMACEUTICALS (US) 2012-07-24 US disclosed
US-20110160200-A1 Nitroxyl Progenitors for the Treatment of Pulmonary Hypertension CARDIOXYL PHARMACEUTICALS, INC. (US) 2011-06-30 US disclosed
WO-2011063400-A1 NITROXYL DONORS FOR THE TREATMENT OF PULMONARY HYPERTENSION CARDIOXYL PHARMACEUTICALS, INC. (US) 2011-05-26 WO disclosed
WO-2011063339-A1 NITROXYL DONORS FOR THE TREATMENT OF PULMONARY HYPERTENSION CARDIOXYL PHARMACEUTICALS, INC. (US) 2011-05-26 WO disclosed
US-20090163487-A1 N-HYDROXYLSULFONAMIDE DERIVATIVES AS NEW PHYSIOLOGICALLY USEFUL NITROXYL DONORS THE JOHNS HOPKINS UNIVERSITY 2009-06-25 US disclosed
US-20090163487-A1 N-HYDROXYLSULFONAMIDE DERIVATIVES AS NEW PHYSIOLOGICALLY USEFUL NITROXYL DONORS THE JOHNS HOPKINS UNIVERSITY 2009-06-25 US disclosed
WO-2009042970-A1 N-HYDROXYLSULFONAMIDE DERIVATIVES AS NEW PHYSIOLOGICALLY USEFUL NITROXYL DONORS JOHNS HOPKINS UNIVERSITY (US) 2009-04-02 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 (6 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-20160081951-A1 NITROXYL DONORS FOR THE TREATMENT OF PULMONARY HYPERTENSION NOS2, NOS3, NOS1 CA1 3786/4885CA2 459/4885MMP1 1456/4885
US-20120258965-A1 N-HYDROXYLSULFONAMIDE DERIVATIVES AS NEW PHYSIOLOGICALLY USEFUL NITROXYL DONORS TNNI3, TNNC1, NME4 CA1 2709/4885CA2 1491/4885MMP1 2308/4885
US-20090163487-A1 N-HYDROXYLSULFONAMIDE DERIVATIVES AS NEW PHYSIOLOGICALLY USEFUL NITROXYL DONORS TNNI3, TNNC1, NME4 CA1 2709/4885CA2 1491/4885MMP1 2308/4885
US-20110160200-A1 Nitroxyl Progenitors for the Treatment of Pulmonary Hypertension NOS2, NOS3, NOS1 CA1 3870/4885CA2 747/4885MMP1 1165/4885
US-20140194416-A1 N-HYDROXYLSULFONAMIDE DERIVATIVES AS NEW PHYSIOLOGICALLY USEFUL NITROXYL DONORS TNNI3, TNNC1, NME4 CA1 2709/4885CA2 1491/4885MMP1 2308/4885
US-20150336880-A1 N-HYDROXYLSULFONAMIDE DERIVATIVES AS NEW PHYSIOLOGICALLY USEFUL NITROXYL DONORS TNNI3, TNNC1, NME4 CA1 2709/4885CA2 1491/4885MMP1 2308/4885

“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.