SCHEMBL8064667

SCHEMBL8064667

O=S(=O)(NO)c1ccc2ccc(S(=O)(=O)N3CCOCC3)cc2c1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.61
MEN1 O00255 4/20 0.61
TSHR P16473 3/20 0.61
PKM P14618 1/20 0.61
KDM4E B2RXH2 2/20 0.58
HSD17B10 Q99714 2/20 0.58
CASP1 P29466 1/20 0.58
SMN1; SMN2 Q16637 5/20 0.56
ALDH1A1 P00352 3/20 0.54
HPGD P15428 2/20 0.54
POLB P06746 2/20 0.53
GAA P10253 2/20 0.51
LMNA P02545 2/20 0.49
MAPT P10636 1/20 0.49
HTT P42858 1/20 0.49
L3MBTL1 Q9Y468 2/20 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
SCHEMBL8062135 0.96 KMT2A (0.63) KMT2AMEN1TSHRPKMKDM4E
SCHEMBL13485849 0.85 POLB (0.67) KMT2AMEN1HSD17B10SMN1; SMN2ALDH1A1
SCHEMBL20021982 0.81 PKM (0.89) KMT2AMEN1TSHRPKMKDM4E
SCHEMBL29483657 0.81 PKM (0.89) KMT2AMEN1TSHRPKMKDM4E
SCHEMBL12793245 0.75 POLB (0.88) KMT2AMEN1TSHRKDM4EHSD17B10
SCHEMBL4465322 0.73 POLB (0.62) KMT2AMEN1TSHRPKMKDM4E
SCHEMBL10167567 0.72 TSHR (0.61) KMT2AMEN1TSHRPKMKDM4E
SCHEMBL28072234 0.72 POLB (0.76) KMT2AMEN1TSHRKDM4EHSD17B10
SCHEMBL4479351 0.71 APOBEC3G (0.58) KMT2AMEN1TSHRPKMKDM4E
SCHEMBL12793706 0.71 ALDH1A1 (0.66) KMT2ATSHRKDM4ESMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9617208-B2 N-hydroxylsulfonamide derivatives as new physiologically useful nitroxyl donors CARDIOXYL PHARMACEUTICALS, INC. (US) 2017-04-11 US disclosed
US-9617208-B2 N-hydroxylsulfonamide derivatives as new physiologically useful nitroxyl donors CARDIOXYL PHARMACEUTICALS, INC. (US) 2017-04-11 US disclosed
EP-2504003-B1 NITROXYL DONORS FOR THE TREATMENT OF PULMONARY HYPERTENSION CARDIOXYL PHARMACEUTICALS INC (US) 2016-11-09 EP disclosed
US-20160081951-A1 NITROXYL DONORS FOR THE TREATMENT OF PULMONARY HYPERTENSION CARDIOXYL PHARMACEUTICALS, INC. 2016-03-24 US disclosed
US-20160081951-A1 NITROXYL DONORS FOR THE TREATMENT OF PULMONARY HYPERTENSION CARDIOXYL PHARMACEUTICALS, INC. 2016-03-24 US disclosed
US-20150336880-A1 N-HYDROXYLSULFONAMIDE DERIVATIVES AS NEW PHYSIOLOGICALLY USEFUL NITROXYL DONORS THE JOHNS HOPKINS UNIVERSITY 2015-11-26 US disclosed
US-20150336880-A1 N-HYDROXYLSULFONAMIDE DERIVATIVES AS NEW PHYSIOLOGICALLY USEFUL NITROXYL DONORS THE JOHNS HOPKINS UNIVERSITY 2015-11-26 US disclosed
US-9115064-B2 N-hydroxylsulfonamide derivatives as new physiologically useful nitroxyl donors THE JOHNS HOPKINS UNIVERSITY (US) 2015-08-25 US disclosed
US-9115064-B2 N-hydroxylsulfonamide derivatives as new physiologically useful nitroxyl donors THE JOHNS HOPKINS UNIVERSITY (US) 2015-08-25 US disclosed
US-20140194416-A1 N-HYDROXYLSULFONAMIDE DERIVATIVES AS NEW PHYSIOLOGICALLY USEFUL NITROXYL DONORS CARDIOXYL PHARMACEUTICALS, INC. (US) 2014-07-10 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 (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-20160081951-A1 NITROXYL DONORS FOR THE TREATMENT OF PULMONARY HYPERTENSION NOS2, NOS3, NOS1 KMT2A 2073/4885MEN1 3046/4885TSHR 4193/4885
US-20120258965-A1 N-HYDROXYLSULFONAMIDE DERIVATIVES AS NEW PHYSIOLOGICALLY USEFUL NITROXYL DONORS TNNI3, TNNC1, NME4 KMT2A 4724/4885MEN1 4777/4885TSHR 2239/4885
US-20090163487-A1 N-HYDROXYLSULFONAMIDE DERIVATIVES AS NEW PHYSIOLOGICALLY USEFUL NITROXYL DONORS TNNI3, TNNC1, NME4 KMT2A 4724/4885MEN1 4777/4885TSHR 2239/4885
US-20110160200-A1 Nitroxyl Progenitors for the Treatment of Pulmonary Hypertension NOS2, NOS3, NOS1 KMT2A 1142/4885MEN1 3586/4885TSHR 4331/4885
US-20140194416-A1 N-HYDROXYLSULFONAMIDE DERIVATIVES AS NEW PHYSIOLOGICALLY USEFUL NITROXYL DONORS TNNI3, TNNC1, NME4 KMT2A 4724/4885MEN1 4777/4885TSHR 2239/4885
US-20150336880-A1 N-HYDROXYLSULFONAMIDE DERIVATIVES AS NEW PHYSIOLOGICALLY USEFUL NITROXYL DONORS TNNI3, TNNC1, NME4 KMT2A 4724/4885MEN1 4777/4885TSHR 2239/4885

“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.