SCHEMBL7183304

SCHEMBL7183304

O=C(O)c1ccccc1S(=O)(=O)NO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 4/20 1.00
MMP2 P08253 4/20 1.00
MMP9 P14780 4/20 1.00
MMP8 P22894 4/20 1.00
MMP13 P45452 4/20 1.00
CA1 P00915 3/20 1.00
CA2 P00918 3/20 1.00
CA12 O43570 6/20 0.62
CA9 Q16790 6/20 0.62
F2 P00734 3/20 0.60
PRSS1 P07477 3/20 0.60
PRSS2 P07478 3/20 0.60
PRSS3 P35030 3/20 0.60
TSHR P16473 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
ALDH1A1 P00352 2/20 0.50
ALOX15 P16050 1/20 0.50
FABP3 P05413 1/20 0.49
FABP4 P15090 1/20 0.49
FABP5 Q01469 1/20 0.49

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
SCHEMBL8397052 0.86 CA1 (0.75) MMP1MMP2MMP9MMP8MMP13
Hydrochloric Acid SCHEMBL11042768 0.84 CA1 (0.72) MMP1MMP2MMP9MMP8MMP13
SCHEMBL3366240 0.82 CA1 (0.70) MMP1MMP2MMP9MMP8MMP13
SCHEMBL5924383 0.82 CA1 (0.70) MMP1MMP2MMP9MMP8MMP13
SCHEMBL4433906 0.82 CA1 (0.70) MMP1MMP2MMP9MMP8MMP13
SCHEMBL30090679 0.82 CA1 (0.70) MMP1MMP2MMP9MMP8MMP13
SCHEMBL32662843 0.82 CA1 (0.69) MMP1MMP2MMP9MMP8MMP13
SCHEMBL2905661 0.81 MMP2 (0.68) MMP1MMP2MMP9MMP8MMP13
SCHEMBL10337478 0.79 CA1 (0.66) MMP1MMP2MMP9MMP8MMP13
SCHEMBL13320282 0.79 CA12 (0.79) MMP1MMP2MMP9MMP8MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11083704-B2 Method of administering nitroxyl donating compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2021-08-10 US 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
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-20190343790-A1 METHOD OF ADMINISTERING NITROXYL DONATING COMPOUNDS CARDIOXYL PHARMACEUTICALS, INC. 2019-11-14 US disclosed
US-20190224159-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING NITROXYL DONORS CARDIOXYL PHARMACEUTICALS, INC. 2019-07-25 US disclosed
US-20190144380-A1 N-HYDROXYLSULFONAMIDE DERIVATIVES AS NEW PHYSIOLOGICALLY USEFUL NITROXYL DONORS THE JOHNS HOPKINS UNIVERSITY 2019-05-16 US disclosed
US-10245249-B2 Pharmaceutical compositions comprising nitroxyl donors CARDIOXYL PHARMACEUTICALS, INC. (US) 2019-04-02 US disclosed
US-10245249-B2 Pharmaceutical compositions comprising nitroxyl donors CARDIOXYL PHARMACEUTICALS, INC. (US) 2019-04-02 US disclosed
US-20150366977-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING NITROXYL DONORS CARDIOXYL PHARMACEUTICALS, INC. 2015-12-24 US disclosed
US-20150366977-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING NITROXYL DONORS CARDIOXYL PHARMACEUTICALS, INC. 2015-12-24 US disclosed
US-9115064-B2 N-hydroxylsulfonamide derivatives as new physiologically useful nitroxyl donors THE JOHNS HOPKINS UNIVERSITY (US) 2015-08-25 US disclosed
WO-2014113700-A9 PHARMACEUTICAL COMPOSITIONS COMPRISING NITROXYL DONORS CARDIOXYL PHARMACEUTICALS, INC. (US) 2014-10-09 WO disclosed
WO-2014113700-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING NITROXYL DONORS CARDIOXYL PHARMACEUTICALS, INC. (US) 2014-07-24 WO disclosed
US-20140194416-A1 N-HYDROXYLSULFONAMIDE DERIVATIVES AS NEW PHYSIOLOGICALLY USEFUL NITROXYL DONORS CARDIOXYL PHARMACEUTICALS, INC. (US) 2014-07-10 US disclosed
US-8030356-B2 N-hydroxylsulfonamide derivatives as new physiologically useful nitroxyl donors CARDIOXYL PHARMACEUTICALS, INC. (US) 2011-10-04 US disclosed
US-20070299107-A1 N-hydroxylsulfonamide derivatives as new physiologically useful nitroxyl donors NATIONAL SCIENCE FOUNDATION 2007-12-27 US disclosed
EP-1304924-A2 COMPOSITIONS FOR REPELLING CRAWLING INSECTS Bayer Aktiengesellschaft (DE) 2003-05-02 EP disclosed
WO-2002005646-A2 COMPOSITIONS FOR REPELLING CRAWLING INSECTS S.C. JOHNSON & SON, INC. (US) (US) 2002-01-24 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 (12 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-20210053915-A1 N-HYDROXYLSULFONAMIDE DERIVATIVES AS NEW PHYSIOLOGICALLY USEFUL NITROXYL DONORS TNNI3, TNNC1, TNNT2 MMP1 2368/4885MMP2 4284/4885MMP9 3976/4885
US-10548872-B2 Pharmaceutical compositions comprising nitroxyl donors TNNT2, TNNI3, NQO1 MMP1 3468/4885MMP2 3392/4885MMP9 2834/4885
US-10829445-B2 N-hydroxylsulfonamide derivatives as new physiologically useful nitroxyl donors TNNI3, TNNC1, TNNT2 MMP1 2368/4885MMP2 4284/4885MMP9 3976/4885
US-10245249-B2 Pharmaceutical compositions comprising nitroxyl donors TNNT2, TNNI3, NQO1 MMP1 3468/4885MMP2 3392/4885MMP9 2834/4885
US-20200163929-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING NITROXYL DONORS TNNT2, TNNI3, NQO1 MMP1 3468/4885MMP2 3392/4885MMP9 2834/4885
US-20190144380-A1 N-HYDROXYLSULFONAMIDE DERIVATIVES AS NEW PHYSIOLOGICALLY USEFUL NITROXYL DONORS TNNI3, TNNC1, TNNT2 MMP1 2368/4885MMP2 4284/4885MMP9 3976/4885
US-20140194416-A1 N-HYDROXYLSULFONAMIDE DERIVATIVES AS NEW PHYSIOLOGICALLY USEFUL NITROXYL DONORS TNNI3, TNNC1, NME4 MMP1 2308/4885MMP2 4192/4885MMP9 3703/4885
US-20070299107-A1 N-hydroxylsulfonamide derivatives as new physiologically useful nitroxyl donors TNNI3, TNNC1, NME4 MMP1 2327/4885MMP2 4354/4885MMP9 3967/4885
US-20150366977-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING NITROXYL DONORS TNNT2, TNNI3, NQO1 MMP1 3468/4885MMP2 3392/4885MMP9 2834/4885
US-11083704-B2 Method of administering nitroxyl donating compounds NQO1, UGT1A3, NNMT MMP1 2498/4885MMP2 3353/4885MMP9 2542/4885
US-20190343790-A1 METHOD OF ADMINISTERING NITROXYL DONATING COMPOUNDS NQO1, UGT1A3, NNMT MMP1 2498/4885MMP2 3353/4885MMP9 2542/4885
US-20190224159-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING NITROXYL DONORS TNNT2, TNNI3, NQO1 MMP1 3468/4885MMP2 3392/4885MMP9 2834/4885

“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.