SCHEMBL3867150

SCHEMBL3867150

NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)Cc2ccc(CO[N+](=O)[O-])cc2)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA1 P00915 20/20 0.55
CA2 P00918 20/20 0.55
CA12 O43570 5/20 0.49
CA9 Q16790 5/20 0.49
CA4 P22748 2/20 0.47
CA5A P35218 1/20 0.47
CA7 P43166 1/20 0.47
CA5B Q9Y2D0 1/20 0.47

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
SCHEMBL13686418 0.91 CA1 (0.47) CA1CA2CA12CA9CA4
SCHEMBL13685901 0.78 CA1 (0.57) CA1CA2CA12CA9CA4
SCHEMBL13685893 0.77 CA1 (0.56) CA1CA2CA12CA9CA4
SCHEMBL9515561 0.72 CA1 (0.78) CA1CA2CA12CA9CA4
SCHEMBL13685900 0.66 CA1 (0.67) CA1CA2CA12CA9CA4
SCHEMBL13685904 0.66 CA12 (0.48) CA1CA2CA12CA9CA4
SCHEMBL220304 0.65 CA2 (0.53) CA1CA2CA12CA9CA4
SCHEMBL8971332 0.64 CA1 (0.59) CA1CA2CA12CA9CA4
SCHEMBL8222515 0.64 CA1 (1.00) CA1CA2CA12CA9CA5A
SCHEMBL22227473 0.63 CA2 (0.48) CA1CA2CA12CA9CA4

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7396829-B2 such as 2H-1,2,4-benzothiadiazine-7-sulfonamide, 6-chloro-3,4-dihydro-3-[5-(nitrooxy)pentyl]-, 1,1-dioxide; contains at least one nitric oxide enhancing group; excessive water or electrolyte retention conditions; cardiovascular diseases, and diseases resulting from oxidative or endothelial dysfunctions NITROMED, INC. (US) 2008-07-08 US claimed
EP-1855688-A2 NITRIC OXIDE ENHANCING DIURETIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE Nitromed, Inc. (US) 2007-11-21 EP claimed
WO-2006091716-A2 NITRIC OXIDE ENHANCING DIURETIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2006-08-31 WO claimed
US-20060189603-A1 such as 2H-1,2,4-benzothiadiazine-7-sulfonamide, 6-chloro-3,4-dihydro-3-[5-(nitrooxy)pentyl]-, 1,1-dioxide; contains at least one nitric oxide enhancing group; excessive water or electrolyte retention conditions; cardiovascular diseases, and diseases resulting from oxidative or endothelial dysfunctions NITROMED, INC. (US) 2006-08-24 US claimed
US-7595313-B2 Nitric oxide donating diuretic compounds, compositions and methods of use NICOX, S.A. (FR) 2009-09-29 US disclosed
US-7595313-B2 Nitric oxide donating diuretic compounds, compositions and methods of use NICOX, S.A. (FR) 2009-09-29 US disclosed
US-20080255101-A1 NITRIC OXIDE DONATING DIURETIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2008-10-16 US disclosed
US-20080255101-A1 NITRIC OXIDE DONATING DIURETIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2008-10-16 US disclosed
US-7396829-B2 such as 2H-1,2,4-benzothiadiazine-7-sulfonamide, 6-chloro-3,4-dihydro-3-[5-(nitrooxy)pentyl]-, 1,1-dioxide; contains at least one nitric oxide enhancing group; excessive water or electrolyte retention conditions; cardiovascular diseases, and diseases resulting from oxidative or endothelial dysfunctions NITROMED, INC. (US) 2008-07-08 US disclosed
US-7396829-B2 such as 2H-1,2,4-benzothiadiazine-7-sulfonamide, 6-chloro-3,4-dihydro-3-[5-(nitrooxy)pentyl]-, 1,1-dioxide; contains at least one nitric oxide enhancing group; excessive water or electrolyte retention conditions; cardiovascular diseases, and diseases resulting from oxidative or endothelial dysfunctions NITROMED, INC. (US) 2008-07-08 US disclosed
EP-1855688-A2 NITRIC OXIDE ENHANCING DIURETIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE Nitromed, Inc. (US) 2007-11-21 EP disclosed
WO-2006091716-A2 NITRIC OXIDE ENHANCING DIURETIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2006-08-31 WO disclosed
US-20060189603-A1 such as 2H-1,2,4-benzothiadiazine-7-sulfonamide, 6-chloro-3,4-dihydro-3-[5-(nitrooxy)pentyl]-, 1,1-dioxide; contains at least one nitric oxide enhancing group; excessive water or electrolyte retention conditions; cardiovascular diseases, and diseases resulting from oxidative or endothelial dysfunctions NITROMED, INC. (US) 2006-08-24 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 (2 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-20060189603-A1 such as 2H-1,2,4-benzothiadiazine-7-sulfonamide, 6-chloro-3,4-dihydro-3-[5-(nitrooxy)pentyl]-, 1,1-dioxide; contains at least one nitric oxide enhancing group; excessive water or electrolyte retention conditions; cardiovascular diseases, and diseases resulting from oxidative or endothelial dysfunctions NOS1, NOS3, REN CA1 787/4885CA2 355/4885CA12 1884/4885
US-20080255101-A1 NITRIC OXIDE DONATING DIURETIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE NOS1, NOS3, NOS2 CA1 957/4885CA2 690/4885CA12 2127/4885

“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.