SCHEMBL1767645

SCHEMBL1767645

O=S(=O)(NO)c1ccccc1Br

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.56
CA2 P00918 5/20 0.56
CA4 P22748 1/20 0.56
CA6 P23280 1/20 0.56
MMP1 P03956 4/20 0.55
MMP2 P08253 4/20 0.55
MMP9 P14780 4/20 0.55
MMP8 P22894 4/20 0.55
MMP13 P45452 4/20 0.55
MAPT P10636 1/20 0.53
PLCG1 P19174 1/20 0.52
POLB P06746 3/20 0.49
RECQL P46063 2/20 0.49
EDNRA P25101 2/20 0.45
EDNRB P24530 1/20 0.45
KLK7 P49862 1/20 0.41
BRD4 O60885 1/20 0.40
BRD2 P25440 1/20 0.40

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
SCHEMBL6743749 0.80 CA1 (0.58) CA1CA2CA4CA6MAPT
SCHEMBL30784566 0.78 CA1 (0.56) CA1CA2CA4CA6MAPT
SCHEMBL6234991 0.78 CA1 (0.61) CA1CA2CA4CA6MAPT
SCHEMBL45019 0.78 CA2 (0.55) CA1CA2CA4CA6MMP1
SCHEMBL2371618 0.78 CA1 (0.56) CA1CA2CA4CA6MAPT
SCHEMBL1291097 0.78 CA1 (0.56) CA1CA2CA4CA6MAPT
SCHEMBL30296023 0.78 POLB (0.53) CA1CA2CA4CA6MMP1
SCHEMBL10923236 0.78 CA1 (0.50) CA1CA2CA4CA6MAPT
SCHEMBL6361993 0.78 POLB (0.53) CA1CA2CA4CA6MMP1
SCHEMBL7195481 0.76 CA2 (0.57) CA1CA2CA4MMP1MMP2

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 102 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-20160002156-A1 N-HYDROXYLSULFONAMIDE DERIVATIVES AS NEW PHYSIOLOGICALLY USEFUL NITROXYL DONORS THE JOHNS HOPKINS UNIVERSITY 2016-01-07 US claimed
US-RE45314-E1 N-hydroxylsulfonamide derivatives as new physiologically useful nitroxyl donors THE JOHNS HOPKINS UNIVERSITY (US) 2014-12-30 US claimed
CN-101472576-B N-Hydroxysulfonamide Derivatives as Physiologically Valuable Nitroxyl Donors UNIV JOHNS HOPKINS MED 2013-04-17 CN claimed
EP-2504003-A1 NITROXYL DONORS FOR THE TREATMENT OF PULMONARY HYPERTENSION Cardioxyl Pharmaceuticals Inc. (US) 2012-10-03 EP claimed
US-20110306614-A1 N-Hydroxylsulfonamide Derivatives as New Physiologically Useful Nitroxyl Donors THE JOHNS HOPKINS UNIVERSITY (US) 2011-12-15 US 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-2011063400-A1 NITROXYL DONORS FOR THE TREATMENT OF PULMONARY HYPERTENSION CARDIOXYL PHARMACEUTICALS, INC. (US) 2011-05-26 WO claimed
WO-2011063339-A1 NITROXYL DONORS FOR THE TREATMENT OF PULMONARY HYPERTENSION CARDIOXYL PHARMACEUTICALS, INC. (US) 2011-05-26 WO claimed
CN-101472576-A N-hydroxysulfonamide derivatives as novel physiologically valuable nitroxyl donors UNIV JOHNS HOPKINS (US) 2009-07-01 CN claimed
US-20070299107-A1 N-hydroxylsulfonamide derivatives as new physiologically useful nitroxyl donors NATIONAL SCIENCE FOUNDATION 2007-12-27 US claimed
US-11306056-B2 N-hydroxylsulfonamide derivatives as new physiologically useful nitroxyl donors CARDIOXYL PHARMACEUTICALS, INC. (US) 2022-04-19 US disclosed
CN-109438298-B N-hydroxysulfonamide derivatives as physiologically valuable nitroxyl donors 约翰斯霍普金斯大学 2021-10-08 CN disclosed
US-20210053915-A1 N-HYDROXYLSULFONAMIDE DERIVATIVES AS NEW PHYSIOLOGICALLY USEFUL NITROXYL DONORS THE JOHNS HOPKINS UNIVERSITY 2021-02-25 US 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
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 (7 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-20110306614-A1 N-Hydroxylsulfonamide Derivatives as New Physiologically Useful Nitroxyl Donors TNNI3, TNNC1, NME4 CA1 2599/4885CA2 1456/4885CA4 3051/4885
US-20160081951-A1 NITROXYL DONORS FOR THE TREATMENT OF PULMONARY HYPERTENSION NOS2, NOS3, NOS1 CA1 3786/4885CA2 459/4885CA4 626/4885
US-20210053915-A1 N-HYDROXYLSULFONAMIDE DERIVATIVES AS NEW PHYSIOLOGICALLY USEFUL NITROXYL DONORS TNNI3, TNNC1, TNNT2 CA1 2645/4885CA2 1468/4885CA4 3143/4885
US-20160002156-A1 N-HYDROXYLSULFONAMIDE DERIVATIVES AS NEW PHYSIOLOGICALLY USEFUL NITROXYL DONORS TNNI3, TNNC1, NME4 CA1 2599/4885CA2 1456/4885CA4 3051/4885
US-20110160200-A1 Nitroxyl Progenitors for the Treatment of Pulmonary Hypertension NOS2, NOS3, NOS1 CA1 3870/4885CA2 747/4885CA4 856/4885
US-20070299107-A1 N-hydroxylsulfonamide derivatives as new physiologically useful nitroxyl donors TNNI3, TNNC1, NME4 CA1 2599/4885CA2 1456/4885CA4 3051/4885
US-11306056-B2 N-hydroxylsulfonamide derivatives as new physiologically useful nitroxyl donors TNNI3, TNNC1, TNNT2 CA1 2645/4885CA2 1468/4885CA4 3143/4885

“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.