SCHEMBL15880985

SCHEMBL15880985

Cc1ccc(F)cc1S(=O)(=O)NO

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEP1B Q16820 1/20 0.63
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
MMP1 P03956 3/20 0.50
MMP2 P08253 3/20 0.50
MMP9 P14780 3/20 0.50
MMP8 P22894 3/20 0.50
MMP13 P45452 3/20 0.50
MCL1 Q07820 1/20 0.49
USP30 Q70CQ3 1/20 0.46
LMNA P02545 4/20 0.46
ALDH1A1 P00352 3/20 0.46
POLB P06746 1/20 0.46
IDH1 O75874 3/20 0.45
KMT2A Q03164 1/20 0.44
SLC16A3 O15427 1/20 0.43
MAPT P10636 1/20 0.42
TRIM24 O15164 1/20 0.41
BRD1 O95696 1/20 0.41
BRPF1 P55201 1/20 0.41

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
SCHEMBL15881204 0.85 CA1 (0.50) MEP1BCA1CA2MMP1MMP2
SCHEMBL2525525 0.83 LMNA (0.65) MEP1BMCL1USP30LMNAALDH1A1
SCHEMBL5472657 0.81 MEP1B (0.55) MEP1BMCL1USP30LMNAALDH1A1
SCHEMBL6257763 0.81 MEP1B (0.55) MEP1BMCL1USP30LMNAALDH1A1
SCHEMBL15880801 0.81 ALDH1A1 (0.60) CA1CA2MMP1MMP2MMP9
SCHEMBL11962947 0.81 CA1 (0.53) MEP1BCA1CA2MMP1MMP2
SCHEMBL29536726 0.81 CA1 (0.53) MEP1BCA1CA2MMP1MMP2
SCHEMBL6766551 0.79 MEP1B (0.51) MEP1BMCL1USP30LMNAALDH1A1
SCHEMBL14676763 0.77 MEP1B (0.55) MEP1BMMP1MMP2MMP9MMP13
SCHEMBL1767675 0.77 CA1 (0.53) CA1CA2MMP1MMP2MMP9

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 26 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
EP-3427728-B1 PHARMACEUTICAL COMPOSITIONS COMPRISING NITROXYL DONORS CARDIOXYL PHARMACEUTICALS INC (US) 2021-07-07 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-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
EP-2945621-B1 PHARMACEUTICAL COMPOSITIONS COMPRISING NITROXYL DONORS CARDIOXYL PHARMACEUTICALS INC (US) 2018-10-17 EP disclosed
WO-2018128999-A1 METHOD OF ADMINISTERING NITROXYL DONATING COMPOUNDS CARDIOXYL PHARMACEUTICALS, INC. (US) 2018-07-12 WO 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-20150366977-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING NITROXYL DONORS CARDIOXYL PHARMACEUTICALS, INC. 2015-12-24 US disclosed
EP-2945621-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING NITROXYL DONORS Cardioxyl Pharmaceuticals, Inc. (US) 2015-11-25 EP disclosed
WO-2014113700-A9 PHARMACEUTICAL COMPOSITIONS COMPRISING NITROXYL DONORS CARDIOXYL PHARMACEUTICALS, INC. (US) 2014-10-09 WO 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
WO-2014113700-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING NITROXYL DONORS CARDIOXYL PHARMACEUTICALS, INC. (US) 2014-07-24 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 (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-10548872-B2 Pharmaceutical compositions comprising nitroxyl donors TNNT2, TNNI3, NQO1 MEP1B 4853/4885CA1 4828/4885CA2 4041/4885
US-20200163929-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING NITROXYL DONORS TNNT2, TNNI3, NQO1 MEP1B 4853/4885CA1 4828/4885CA2 4041/4885
US-20150366977-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING NITROXYL DONORS TNNT2, TNNI3, NQO1 MEP1B 4853/4885CA1 4828/4885CA2 4041/4885
US-11083704-B2 Method of administering nitroxyl donating compounds NQO1, UGT1A3, NNMT MEP1B 3799/4885CA1 2607/4885CA2 3672/4885
US-20190343790-A1 METHOD OF ADMINISTERING NITROXYL DONATING COMPOUNDS NQO1, UGT1A3, NNMT MEP1B 3799/4885CA1 2607/4885CA2 3672/4885
US-11304924-B2 Pharmaceutical compositions comprising nitroxyl donors TNNT2, TNNI3, NQO1 MEP1B 4853/4885CA1 4828/4885CA2 4041/4885

“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.