SCHEMBL1767641

SCHEMBL1767641

O=S(=O)(NO)c1ccccc1F

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.56
CA2 P00918 4/20 0.56
MMP1 P03956 4/20 0.56
MMP2 P08253 4/20 0.56
MMP9 P14780 4/20 0.56
MMP8 P22894 4/20 0.56
MMP13 P45452 4/20 0.56
KAT6A Q92794 8/20 0.54
GBA1 P04062 1/20 0.51
ALDH1A1 P00352 1/20 0.49
PSEN1 P49768 1/20 0.46
PSEN2 P49810 1/20 0.46
APH1B Q8WW43 1/20 0.46
NCSTN Q92542 1/20 0.46
APH1A Q96BI3 1/20 0.46
PSENEN Q9NZ42 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL1028459 0.82 KAT6A (0.53) KAT6AGBA1ALDH1A1PSEN1PSEN2
SCHEMBL8779451 0.80 KAT6A (0.51) KAT6AGBA1ALDH1A1PSEN1PSEN2
SCHEMBL1621373 0.78 ALDH1A1 (0.67) KAT6AGBA1ALDH1A1PSEN1PSEN2
SCHEMBL420408 0.78 GBA1 (0.51) KAT6AGBA1ALDH1A1PSEN1PSEN2
SCHEMBL15973217 0.78 KAT6A (0.50) KAT6AGBA1ALDH1A1PSEN1PSEN2
SCHEMBL27176171 0.78 KAT6A (0.58) KAT6AGBA1ALDH1A1MEN1KMT2A
SCHEMBL24385370 0.77 KAT6A (0.49) KAT6AGBA1ALDH1A1PSEN1PSEN2
SCHEMBL29489599 0.76 MEN1 (0.55) KAT6AGBA1ALDH1A1PSEN1PSEN2
SCHEMBL12190260 0.76 GAA (0.56) CA1CA2MMP1MMP2MMP9
SCHEMBL3257198 0.76 KAT6A (0.49) KAT6AGBA1ALDH1A1PSEN1PSEN2

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 100 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
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-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
CN-101472576-A N-hydroxysulfonamide derivatives as novel physiologically valuable nitroxyl donors UNIV JOHNS HOPKINS (US) 2009-07-01 CN claimed
EP-1998761-A1 N-HYDROXYLSULFONAMIDE DERIVATIVES AS NEW PHYSIOLOGICALLY USEFUL NITROXYL DONORS Johns Hopkins University School of Medicine (US) 2008-12-10 EP claimed
US-20070299107-A1 N-hydroxylsulfonamide derivatives as new physiologically useful nitroxyl donors NATIONAL SCIENCE FOUNDATION 2007-12-27 US claimed
WO-2007109175-A1 N-HYDROXYLSULFONAMIDE DERIVATIVES AS NEW PHYSIOLOGICALLY USEFUL NITROXYL DONORS JOHNS HOPKINS UNIVERSITY SCHOOL OF MEDICINE (US) 2007-09-27 WO claimed
EP-1144372-A1 SULPHOHYDROXAMIC ACIDS AND SULPHOHYDROXAMATES AND THEIR USE AS MEK INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2001-10-17 EP claimed
WO-2000042002-A1 SULPHOHYDROXAMIC ACIDS AND SULPHOHYDROXAMATES AND THEIR USE AS MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2000-07-20 WO claimed
US-11306056-B2 N-hydroxylsulfonamide derivatives as new physiologically useful nitroxyl donors CARDIOXYL PHARMACEUTICALS, INC. (US) 2022-04-19 US disclosed
EP-2586434-B3 N-hydroxylsulfonamide derivatives as new physiologically useful nitroxyl donors UNIV JOHNS HOPKINS (US) 2022-04-06 EP 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-2007002444-A1 THIOL-SENSITIVE POSITIVE INOTROPES JOHNS HOPKINS UNIVERSITY (US) 2007-01-04 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-20110306614-A1 N-Hydroxylsulfonamide Derivatives as New Physiologically Useful Nitroxyl Donors TNNI3, TNNC1, NME4 CA1 2599/4885CA2 1456/4885MMP1 2327/4885
US-20160081951-A1 NITROXYL DONORS FOR THE TREATMENT OF PULMONARY HYPERTENSION NOS2, NOS3, NOS1 CA1 3786/4885CA2 459/4885MMP1 1456/4885
US-20160002156-A1 N-HYDROXYLSULFONAMIDE DERIVATIVES AS NEW PHYSIOLOGICALLY USEFUL NITROXYL DONORS TNNI3, TNNC1, NME4 CA1 2599/4885CA2 1456/4885MMP1 2327/4885
US-20110160200-A1 Nitroxyl Progenitors for the Treatment of Pulmonary Hypertension NOS2, NOS3, NOS1 CA1 3870/4885CA2 747/4885MMP1 1165/4885
US-20070299107-A1 N-hydroxylsulfonamide derivatives as new physiologically useful nitroxyl donors TNNI3, TNNC1, NME4 CA1 2599/4885CA2 1456/4885MMP1 2327/4885
US-11306056-B2 N-hydroxylsulfonamide derivatives as new physiologically useful nitroxyl donors TNNI3, TNNC1, TNNT2 CA1 2645/4885CA2 1468/4885MMP1 2368/4885

“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.