SCHEMBL8062228

SCHEMBL8062228

COCCN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)NO)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GSTO1 P78417 4/20 0.48
▸ LMNA P02545 2/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.41
▸ NAMPT P43490 2/20 0.41
▸ HPGD P15428 1/20 0.40
▸ ACLY P53396 1/20 0.40
▸ MAPT P10636 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL8051170 0.86 GSTO1 (0.46) GSTO1LMNASMN1; SMN2CYP1A2TSHR
SCHEMBL11886812 0.86 GAA (0.45) LMNASMN1; SMN2CYP1A2TSHRCYP2C19
SCHEMBL15881326 0.86 GSTO1 (0.48) GSTO1LMNASMN1; SMN2CYP1A2TSHR
SCHEMBL8061101 0.85 SMN1; SMN2 (0.44) LMNASMN1; SMN2CYP1A2TSHRCYP2C19
SCHEMBL8061115 0.85 LMNA (0.47) GSTO1LMNASMN1; SMN2CYP1A2TSHR
SCHEMBL17359127 0.84 PDK2 (0.52) GSTO1LMNASMN1; SMN2CYP1A2TSHR
SCHEMBL11886827 0.84 SMN1; SMN2 (0.52) LMNASMN1; SMN2CYP1A2TSHRCYP2C19
SCHEMBL8067685 0.81 SMN1; SMN2 (0.50) LMNASMN1; SMN2CYP1A2TSHRCYP2C19
SCHEMBL8054565 0.81 POLB (0.47) LMNASMN1; SMN2CYP1A2TSHRCYP2C19
SCHEMBL28047289 0.80 LIMK2 (0.48) CYP1A2CYP2C19ALDH1A1CYP3A4CYP2C9

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 46 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-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
US-20190224159-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING NITROXYL DONORS CARDIOXYL PHARMACEUTICALS, INC. 2019-07-25 — — US disclosed
US-20120258965-A1 N-HYDROXYLSULFONAMIDE DERIVATIVES AS NEW PHYSIOLOGICALLY USEFUL NITROXYL DONORS THE JOHNS HOPKINS UNIVERSITY (US) 2012-10-11 — — US disclosed
US-8227639-B2 N-hydroxylsulfonamide derivatives as new physiologically useful nitroxyl donors CARDIOXYL PHARMACEUTICALS (US) 2012-07-24 — — US disclosed
US-8227639-B2 N-hydroxylsulfonamide derivatives as new physiologically useful nitroxyl donors CARDIOXYL PHARMACEUTICALS (US) 2012-07-24 — — 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-2011063339-A1 NITROXYL DONORS FOR THE TREATMENT OF PULMONARY HYPERTENSION CARDIOXYL PHARMACEUTICALS, INC. (US) 2011-05-26 — — WO disclosed
WO-2011063400-A1 NITROXYL DONORS FOR THE TREATMENT OF PULMONARY HYPERTENSION CARDIOXYL PHARMACEUTICALS, INC. (US) 2011-05-26 — — WO disclosed
US-20090163487-A1 N-HYDROXYLSULFONAMIDE DERIVATIVES AS NEW PHYSIOLOGICALLY USEFUL NITROXYL DONORS THE JOHNS HOPKINS UNIVERSITY 2009-06-25 — — US disclosed
US-20090163487-A1 N-HYDROXYLSULFONAMIDE DERIVATIVES AS NEW PHYSIOLOGICALLY USEFUL NITROXYL DONORS THE JOHNS HOPKINS UNIVERSITY 2009-06-25 — — US disclosed
WO-2009042970-A1 N-HYDROXYLSULFONAMIDE DERIVATIVES AS NEW PHYSIOLOGICALLY USEFUL NITROXYL DONORS JOHNS HOPKINS UNIVERSITY (US) 2009-04-02 — — 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-20120258965-A1 N-HYDROXYLSULFONAMIDE DERIVATIVES AS NEW PHYSIOLOGICALLY USEFUL NITROXYL DONORS TNNI3, TNNC1, NME4 GSTO1 467/4885LMNA 3998/4885SMN1; SMN2 862/4885
US-10548872-B2 Pharmaceutical compositions comprising nitroxyl donors TNNT2, TNNI3, NQO1 GSTO1 1121/4885LMNA 3141/4885SMN1; SMN2 793/4885
US-20090163487-A1 N-HYDROXYLSULFONAMIDE DERIVATIVES AS NEW PHYSIOLOGICALLY USEFUL NITROXYL DONORS TNNI3, TNNC1, NME4 GSTO1 467/4885LMNA 3998/4885SMN1; SMN2 862/4885
US-20200163929-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING NITROXYL DONORS TNNT2, TNNI3, NQO1 GSTO1 1121/4885LMNA 3141/4885SMN1; SMN2 793/4885
US-20110160200-A1 Nitroxyl Progenitors for the Treatment of Pulmonary Hypertension NOS2, NOS3, NOS1 GSTO1 278/4885LMNA 2700/4885SMN1; SMN2 3802/4885
US-11083704-B2 Method of administering nitroxyl donating compounds NQO1, UGT1A3, NNMT GSTO1 70/4885LMNA 2275/4885SMN1; SMN2 572/4885
US-20190343790-A1 METHOD OF ADMINISTERING NITROXYL DONATING COMPOUNDS NQO1, UGT1A3, NNMT GSTO1 70/4885LMNA 2275/4885SMN1; SMN2 572/4885
US-11304924-B2 Pharmaceutical compositions comprising nitroxyl donors TNNT2, TNNI3, NQO1 GSTO1 1121/4885LMNA 3141/4885SMN1; SMN2 793/4885
US-20190224159-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING NITROXYL DONORS TNNT2, TNNI3, NQO1 GSTO1 1121/4885LMNA 3141/4885SMN1; SMN2 793/4885

“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.

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