SCHEMBL1767682

SCHEMBL1767682

CC(C)c1cc(C(C)C)c(S(=O)(=O)NO)c(C(C)C)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 3/20 0.63
FABP3 P05413 2/20 0.63
FABP5 Q01469 1/20 0.63
GAA P10253 1/20 0.52
HDAC1 Q13547 1/20 0.51
TDP1 Q9NUW8 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
MMP1 P03956 1/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
MMP13 P45452 1/20 0.46
GABRA1 P14867 1/20 0.42
GABRB2 P47870 1/20 0.42
NR3C1 P04150 1/20 0.42
ALDH1A1 P00352 1/20 0.42
F10 P00742 1/20 0.42
PDE4B Q07343 1/20 0.41
ADAM17 P78536 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
SCHEMBL16608916 0.87 FABP4 (0.57) FABP4FABP3FABP5GAAHDAC1
SCHEMBL21922801 0.84 FABP4 (0.62) FABP4FABP3FABP5GAAHDAC1
SCHEMBL10452159 0.82 FABP4 (0.60) FABP4FABP3FABP5GAAHDAC1
SCHEMBL27434290 0.81 FABP4 (0.55) FABP4FABP3FABP5GAAHDAC1
SCHEMBL675038 0.81 FABP4 (0.58) FABP4FABP3FABP5GAAHDAC1
SCHEMBL27687359 0.80 FABP4 (0.53) FABP4FABP3FABP5GAAHDAC1
SCHEMBL14616652 0.79 FABP4 (0.56) FABP4FABP3FABP5GAAHDAC1
Acetone SCHEMBL5392765 0.79 FABP4 (0.56) FABP4FABP3FABP5GAAHDAC1
SCHEMBL86091 0.78 FABP4 (1.00) FABP4FABP3FABP5GAAHDAC1
SCHEMBL8266951 0.78 FABP4 (0.54) FABP4FABP3FABP5GAAHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2504003-B1 NITROXYL DONORS FOR THE TREATMENT OF PULMONARY HYPERTENSION CARDIOXYL PHARMACEUTICALS INC (US) 2016-11-09 EP claimed
US-20160081951-A1 NITROXYL DONORS FOR THE TREATMENT OF PULMONARY HYPERTENSION CARDIOXYL PHARMACEUTICALS, INC. 2016-03-24 US claimed
EP-2504003-A1 NITROXYL DONORS FOR THE TREATMENT OF PULMONARY HYPERTENSION Cardioxyl Pharmaceuticals Inc. (US) 2012-10-03 EP claimed
US-20110160200-A1 Nitroxyl Progenitors for the Treatment of Pulmonary Hypertension CARDIOXYL PHARMACEUTICALS, INC. (US) 2011-06-30 US claimed
WO-2011063339-A1 NITROXYL DONORS FOR THE TREATMENT OF PULMONARY HYPERTENSION CARDIOXYL PHARMACEUTICALS, INC. (US) 2011-05-26 WO claimed
WO-2011063400-A1 NITROXYL DONORS FOR THE TREATMENT OF PULMONARY HYPERTENSION CARDIOXYL PHARMACEUTICALS, INC. (US) 2011-05-26 WO claimed
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-3693363-A1 N-HYDROXYLSULFONAMIDE DERIVATIVES AS NEW PHYSIOLOGICALLY USEFUL NITROXYL DONORS The Johns Hopkins University (US) 2020-08-12 EP disclosed
EP-3124471-B1 N-HYDROXYLSULFONAMIDE DERIVATIVES AS NEW PHYSIOLOGICALLY USEFUL NITROXYL DONORS UNIV JOHNS HOPKINS (US) 2020-06-03 EP disclosed
US-20190144380-A1 N-HYDROXYLSULFONAMIDE DERIVATIVES AS NEW PHYSIOLOGICALLY USEFUL NITROXYL DONORS THE JOHNS HOPKINS UNIVERSITY 2019-05-16 US disclosed
US-10179765-B2 N-hydroxylsulfonamide derivatives as new physiologically useful nitroxyl donors CARDIOXYL PHARMACEUTICALS, INC. (US) 2019-01-15 US disclosed
US-9969684-B2 N-hydroxylsulfonamide derivatives as new physiologically useful nitroxyl donors CARDIOXYL PHARMACEUTICALS, INC. (US) 2018-05-15 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
US-5350846-A Antibiotics MERCK & CO., INC. (US) 1994-09-27 US disclosed
US-5208329-A Antibacterial agents MERCK & CO., INC. (US) 1993-05-04 US disclosed
US-5182385-A Chemical intermediates for bactericides MERCK & CO., INC. (US) 1993-01-26 US disclosed
US-5025006-A Carbapenicillin antibiotics MERCK & CO., INC. (US) 1991-06-18 US disclosed
US-5011832-A 2-biphenyl-carbapenem antibacterial agents MERCK & CO., INC. (US) 1991-04-30 US 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 (7 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 FABP4 4074/4885FABP3 588/4885FABP5 2324/4885
US-20210053915-A1 N-HYDROXYLSULFONAMIDE DERIVATIVES AS NEW PHYSIOLOGICALLY USEFUL NITROXYL DONORS TNNI3, TNNC1, TNNT2 FABP4 4044/4885FABP3 25/4885FABP5 1489/4885
US-10829445-B2 N-hydroxylsulfonamide derivatives as new physiologically useful nitroxyl donors TNNI3, TNNC1, TNNT2 FABP4 4044/4885FABP3 25/4885FABP5 1489/4885
US-20110160200-A1 Nitroxyl Progenitors for the Treatment of Pulmonary Hypertension NOS2, NOS3, NOS1 FABP4 1757/4885FABP3 165/4885FABP5 1198/4885
US-20190144380-A1 N-HYDROXYLSULFONAMIDE DERIVATIVES AS NEW PHYSIOLOGICALLY USEFUL NITROXYL DONORS TNNI3, TNNC1, TNNT2 FABP4 4044/4885FABP3 25/4885FABP5 1489/4885
US-20070299107-A1 N-hydroxylsulfonamide derivatives as new physiologically useful nitroxyl donors TNNI3, TNNC1, NME4 FABP4 4205/4885FABP3 28/4885FABP5 1648/4885
US-10179765-B2 N-hydroxylsulfonamide derivatives as new physiologically useful nitroxyl donors TNNI3, TNNC1, TNNT2 FABP4 4044/4885FABP3 25/4885FABP5 1489/4885

“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.