SCHEMBL8224006

SCHEMBL8224006

COc1ccccc1S(=O)(=O)NO

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.55
KAT6A Q92794 1/20 0.52
ACLY P53396 2/20 0.51
ITGAV P06756 2/20 0.51
CA1 P00915 6/20 0.50
CA2 P00918 6/20 0.50
MMP1 P03956 5/20 0.50
MMP2 P08253 5/20 0.50
MMP9 P14780 5/20 0.50
MMP8 P22894 5/20 0.50
MMP13 P45452 5/20 0.50
SLC40A1 Q9NP59 1/20 0.48
NFE2L2 Q16236 1/20 0.46
SLC22A12 Q96S37 1/20 0.46
NPC1 O15118 1/20 0.45
TSHR P16473 1/20 0.45
PKM P14618 1/20 0.45
CA12 O43570 1/20 0.44
CA4 P22748 1/20 0.44
CA7 P43166 1/20 0.44

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
SCHEMBL29965203 0.82 L3MBTL1 (0.61) HTR6KAT6AACLYITGAVCA1
SCHEMBL2371550 0.82 L3MBTL1 (0.61) HTR6KAT6AACLYITGAVCA1
SCHEMBL28146309 0.81 HTR6 (0.55) HTR6KAT6AACLYITGAVCA1
SCHEMBL28146316 0.81 HTR6 (0.55) HTR6KAT6AACLYITGAVCA1
SCHEMBL28844042 0.81 HTR6 (0.55) HTR6KAT6AACLYITGAVCA1
SCHEMBL2371547 0.81 HTR6 (0.55) HTR6KAT6AACLYITGAVCA1
SCHEMBL5501632 0.81 HTR6 (0.55) HTR6KAT6AACLYITGAVCA1
SCHEMBL29288590 0.81 HTR6 (0.55) HTR6KAT6AACLYITGAVCA1
SCHEMBL7552123 0.80 KAT6A (0.52) HTR6KAT6AACLYITGAVSLC40A1
SCHEMBL12000937 0.80 ALDH1A1 (0.46) KAT6AITGAVCA1CA2MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110179777-B Pharmaceutical compositions comprising nitroxyl donors 卡尔迪奥克斯尔制药公司 2022-07-15 CN disclosed
US-11304924-B2 Pharmaceutical compositions comprising nitroxyl donors CARDIOXYL PHARMACEUTICALS, INC. (US) 2022-04-19 US disclosed
US-11083704-B2 Method of administering nitroxyl donating compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2021-08-10 US disclosed
EP-3427728-B1 PHARMACEUTICAL COMPOSITIONS COMPRISING NITROXYL DONORS CARDIOXYL PHARMACEUTICALS INC (US) 2021-07-07 EP disclosed
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-3124471-B1 N-HYDROXYLSULFONAMIDE DERIVATIVES AS NEW PHYSIOLOGICALLY USEFUL NITROXYL DONORS UNIV JOHNS HOPKINS (US) 2020-06-03 EP disclosed
US-20200163929-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING NITROXYL DONORS CARDIOXYL PHARMACEUTICALS, INC. 2020-05-28 US disclosed
US-20200163929-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING NITROXYL DONORS CARDIOXYL PHARMACEUTICALS, INC. 2020-05-28 US disclosed
US-10548872-B2 Pharmaceutical compositions comprising nitroxyl donors CARDIOXYL PHARMACEUTICALS, INC. (US) 2020-02-04 US disclosed
US-20110306614-A1 N-Hydroxylsulfonamide Derivatives as New Physiologically Useful Nitroxyl Donors THE JOHNS HOPKINS UNIVERSITY (US) 2011-12-15 US disclosed
US-8030356-B2 N-hydroxylsulfonamide derivatives as new physiologically useful nitroxyl donors CARDIOXYL PHARMACEUTICALS, INC. (US) 2011-10-04 US disclosed
US-8030356-B2 N-hydroxylsulfonamide derivatives as new physiologically useful nitroxyl donors CARDIOXYL PHARMACEUTICALS, INC. (US) 2011-10-04 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-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 (9 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 HTR6 325/4885KAT6A 3846/4885ACLY 679/4885
US-20210053915-A1 N-HYDROXYLSULFONAMIDE DERIVATIVES AS NEW PHYSIOLOGICALLY USEFUL NITROXYL DONORS TNNI3, TNNC1, TNNT2 HTR6 339/4885KAT6A 3892/4885ACLY 707/4885
US-10548872-B2 Pharmaceutical compositions comprising nitroxyl donors TNNT2, TNNI3, NQO1 HTR6 372/4885KAT6A 2427/4885ACLY 813/4885
US-10829445-B2 N-hydroxylsulfonamide derivatives as new physiologically useful nitroxyl donors TNNI3, TNNC1, TNNT2 HTR6 339/4885KAT6A 3892/4885ACLY 707/4885
US-20200163929-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING NITROXYL DONORS TNNT2, TNNI3, NQO1 HTR6 372/4885KAT6A 2427/4885ACLY 813/4885
US-20110160200-A1 Nitroxyl Progenitors for the Treatment of Pulmonary Hypertension NOS2, NOS3, NOS1 HTR6 1619/4885KAT6A 2323/4885ACLY 1175/4885
US-20070299107-A1 N-hydroxylsulfonamide derivatives as new physiologically useful nitroxyl donors TNNI3, TNNC1, NME4 HTR6 325/4885KAT6A 3846/4885ACLY 679/4885
US-11083704-B2 Method of administering nitroxyl donating compounds NQO1, UGT1A3, NNMT HTR6 313/4885KAT6A 2066/4885ACLY 610/4885
US-11304924-B2 Pharmaceutical compositions comprising nitroxyl donors TNNT2, TNNI3, NQO1 HTR6 372/4885KAT6A 2427/4885ACLY 813/4885

“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.