SCHEMBL1767985

SCHEMBL1767985

O=S(=O)(NO)c1c(Cl)cccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.50
SLC1A3 P43003 1/20 0.49
SLC1A2 P43004 1/20 0.49
CA1 P00915 8/20 0.48
CA2 P00918 8/20 0.48
MMP1 P03956 8/20 0.48
MMP2 P08253 8/20 0.48
MMP9 P14780 8/20 0.48
MMP8 P22894 8/20 0.48
MMP13 P45452 8/20 0.48
GAA P10253 1/20 0.47
LMNA P02545 1/20 0.46
PKM P14618 1/20 0.46
ITGAV P06756 1/20 0.45
MCL1 Q07820 1/20 0.44
SLC40A1 Q9NP59 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL420192 0.77 SLC1A3 (0.49) ATMSLC1A3SLC1A2GAALMNA
SCHEMBL2371623 0.77 ATM (0.46) ATMSLC1A3SLC1A2GAALMNA
SCHEMBL2371626 0.77 ATM (0.50) ATMSLC1A3SLC1A2CA1CA2
SCHEMBL1767644 0.77 PTGES2 (0.54) CA1CA2MMP1MMP2MMP9
SCHEMBL1767992 0.76 CA1 (0.55) SLC1A3SLC1A2CA1CA2MMP1
SCHEMBL440935 0.73 ALDH1A1 (0.44) ATMSLC1A3SLC1A2GAALMNA
SCHEMBL8224040 0.73 CA1 (0.54) CA1CA2MMP1MMP2MMP9
SCHEMBL31381967 0.72 GAA (0.55) ATMSLC1A3SLC1A2MMP1MMP2
SCHEMBL4033114 0.72 SLC1A3 (0.53) ATMSLC1A3SLC1A2GAALMNA
SCHEMBL12932761 0.72 LMNA (0.50) ATMSLC1A3SLC1A2GAALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2504003-B1 NITROXYL DONORS FOR THE TREATMENT OF PULMONARY HYPERTENSION CARDIOXYL PHARMACEUTICALS INC (US) 2016-11-09 EP claimed
US-20160081951-A1 NITROXYL DONORS FOR THE TREATMENT OF PULMONARY HYPERTENSION CARDIOXYL PHARMACEUTICALS, INC. 2016-03-24 US claimed
US-RE45314-E1 N-hydroxylsulfonamide derivatives as new physiologically useful nitroxyl donors THE JOHNS HOPKINS UNIVERSITY (US) 2014-12-30 US claimed
EP-2504003-A1 NITROXYL DONORS FOR THE TREATMENT OF PULMONARY HYPERTENSION Cardioxyl Pharmaceuticals Inc. (US) 2012-10-03 EP claimed
US-8030356-B2 N-hydroxylsulfonamide derivatives as new physiologically useful nitroxyl donors CARDIOXYL PHARMACEUTICALS, INC. (US) 2011-10-04 US claimed
US-20110160200-A1 Nitroxyl Progenitors for the Treatment of Pulmonary Hypertension CARDIOXYL PHARMACEUTICALS, INC. (US) 2011-06-30 US claimed
WO-2011063339-A1 NITROXYL DONORS FOR THE TREATMENT OF PULMONARY HYPERTENSION CARDIOXYL PHARMACEUTICALS, INC. (US) 2011-05-26 WO claimed
WO-2011063400-A1 NITROXYL DONORS FOR THE TREATMENT OF PULMONARY HYPERTENSION CARDIOXYL PHARMACEUTICALS, INC. (US) 2011-05-26 WO claimed
US-20210053915-A1 N-HYDROXYLSULFONAMIDE DERIVATIVES AS NEW PHYSIOLOGICALLY USEFUL NITROXYL DONORS THE JOHNS HOPKINS UNIVERSITY 2021-02-25 US disclosed
US-10829445-B2 N-hydroxylsulfonamide derivatives as new physiologically useful nitroxyl donors CARDIOXYL PHARMACEUTICALS, INC. (US) 2020-11-10 US disclosed
EP-3693363-A1 N-HYDROXYLSULFONAMIDE DERIVATIVES AS NEW PHYSIOLOGICALLY USEFUL NITROXYL DONORS The Johns Hopkins University (US) 2020-08-12 EP disclosed
EP-3124471-B1 N-HYDROXYLSULFONAMIDE DERIVATIVES AS NEW PHYSIOLOGICALLY USEFUL NITROXYL DONORS UNIV JOHNS HOPKINS (US) 2020-06-03 EP disclosed
EP-3124471-B1 N-HYDROXYLSULFONAMIDE DERIVATIVES AS NEW PHYSIOLOGICALLY USEFUL NITROXYL DONORS UNIV JOHNS HOPKINS (US) 2020-06-03 EP disclosed
US-20190144380-A1 N-HYDROXYLSULFONAMIDE DERIVATIVES AS NEW PHYSIOLOGICALLY USEFUL NITROXYL DONORS THE JOHNS HOPKINS UNIVERSITY 2019-05-16 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
WO-2011063339-A1 NITROXYL DONORS FOR THE TREATMENT OF PULMONARY HYPERTENSION CARDIOXYL PHARMACEUTICALS, INC. (US) 2011-05-26 WO disclosed
US-20070299107-A1 N-hydroxylsulfonamide derivatives as new physiologically useful nitroxyl donors NATIONAL SCIENCE FOUNDATION 2007-12-27 US disclosed
US-20070299107-A1 N-hydroxylsulfonamide derivatives as new physiologically useful nitroxyl donors NATIONAL SCIENCE FOUNDATION 2007-12-27 US disclosed
WO-2007109175-A1 N-HYDROXYLSULFONAMIDE DERIVATIVES AS NEW PHYSIOLOGICALLY USEFUL NITROXYL DONORS JOHNS HOPKINS UNIVERSITY SCHOOL OF MEDICINE (US) 2007-09-27 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 ATM 2968/4885SLC1A3 1242/4885SLC1A2 1819/4885
US-20210053915-A1 N-HYDROXYLSULFONAMIDE DERIVATIVES AS NEW PHYSIOLOGICALLY USEFUL NITROXYL DONORS TNNI3, TNNC1, TNNT2 ATM 3017/4885SLC1A3 1350/4885SLC1A2 1727/4885
US-10829445-B2 N-hydroxylsulfonamide derivatives as new physiologically useful nitroxyl donors TNNI3, TNNC1, TNNT2 ATM 3017/4885SLC1A3 1350/4885SLC1A2 1727/4885
US-20110160200-A1 Nitroxyl Progenitors for the Treatment of Pulmonary Hypertension NOS2, NOS3, NOS1 ATM 3925/4885SLC1A3 1780/4885SLC1A2 2313/4885
US-20190144380-A1 N-HYDROXYLSULFONAMIDE DERIVATIVES AS NEW PHYSIOLOGICALLY USEFUL NITROXYL DONORS TNNI3, TNNC1, TNNT2 ATM 3017/4885SLC1A3 1350/4885SLC1A2 1727/4885
US-20070299107-A1 N-hydroxylsulfonamide derivatives as new physiologically useful nitroxyl donors TNNI3, TNNC1, NME4 ATM 3070/4885SLC1A3 1462/4885SLC1A2 1829/4885

“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.