SCHEMBL8068664

SCHEMBL8068664

COC(=O)c1cc(S(=O)(=O)NO)cc(S(=O)(=O)NO)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 8/20 0.48
CA2 P00918 8/20 0.48
CA12 O43570 3/20 0.48
CA9 Q16790 3/20 0.48
CA14 Q9ULX7 2/20 0.48
CA7 P43166 1/20 0.48
ALDH1A1 P00352 3/20 0.48
MMP1 P03956 5/20 0.47
MMP2 P08253 5/20 0.47
MMP9 P14780 5/20 0.47
MMP8 P22894 5/20 0.47
MMP13 P45452 5/20 0.47
KDM4E B2RXH2 3/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
NFKB1 P19838 1/20 0.47
XDH P47989 1/20 0.47
GFER P55789 1/20 0.47
NFKB2 Q00653 1/20 0.47

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
SCHEMBL8061096 0.93 PTGS2 (0.46) CA1CA2CA12CA9CA14
SCHEMBL8065094 0.90 ALDH1A1 (0.47) CA1CA2CA12CA9CA14
SCHEMBL12634860 0.85 ALDH1A1 (0.41) CA1CA2CA12CA9CA14
SCHEMBL17615083 0.85 ALDH1A1 (0.41) CA1CA2CA12CA9CA14
SCHEMBL8051192 0.85 NOTUM (0.59) CA1CA2CA12CA9CA14
SCHEMBL12635830 0.84 ALDH1A1 (0.40) CA1CA2CA12CA9CA14
SCHEMBL8066088 0.84 ALDH1A1 (0.40) CA1CA2CA12CA9CA14
SCHEMBL8061102 0.83 POLB (0.54) CA1CA2ALDH1A1MMP1MMP2
SCHEMBL2711811 0.81 ALDH1A1 (0.51) CA1CA2CA12CA9CA14
SCHEMBL5003491 0.80 ALDH1A1 (0.53) CA1CA2CA12CA9CA14

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 23 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-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
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 459/4885CA12 3804/4885
US-20120258965-A1 N-HYDROXYLSULFONAMIDE DERIVATIVES AS NEW PHYSIOLOGICALLY USEFUL NITROXYL DONORS TNNI3, TNNC1, NME4 CA1 2709/4885CA2 1491/4885CA12 4188/4885
US-20090163487-A1 N-HYDROXYLSULFONAMIDE DERIVATIVES AS NEW PHYSIOLOGICALLY USEFUL NITROXYL DONORS TNNI3, TNNC1, NME4 CA1 2709/4885CA2 1491/4885CA12 4188/4885
US-20110160200-A1 Nitroxyl Progenitors for the Treatment of Pulmonary Hypertension NOS2, NOS3, NOS1 CA1 3870/4885CA2 747/4885CA12 3703/4885
US-20140194416-A1 N-HYDROXYLSULFONAMIDE DERIVATIVES AS NEW PHYSIOLOGICALLY USEFUL NITROXYL DONORS TNNI3, TNNC1, NME4 CA1 2709/4885CA2 1491/4885CA12 4188/4885
US-20150336880-A1 N-HYDROXYLSULFONAMIDE DERIVATIVES AS NEW PHYSIOLOGICALLY USEFUL NITROXYL DONORS TNNI3, TNNC1, NME4 CA1 2709/4885CA2 1491/4885CA12 4188/4885

“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.