SCHEMBL13685995

SCHEMBL13685995

CNc1cc(Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 20/20 0.60
CA2 P00918 20/20 0.60
CA4 P22748 3/20 0.55
CA12 O43570 2/20 0.55
CA9 Q16790 2/20 0.55
CA3 P07451 1/20 0.55
CA6 P23280 1/20 0.55
CA5A P35218 1/20 0.55
CA7 P43166 1/20 0.55
CA14 Q9ULX7 1/20 0.55
CA5B Q9Y2D0 1/20 0.55

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
SCHEMBL10957440 0.81 CA1 (0.58) CA1CA2CA4CA12CA9
SCHEMBL13685991 0.78 CA1 (0.40) CA1CA2CA4CA12CA9
SCHEMBL5014186 0.76 CA1 (0.70) CA1CA2CA4CA12CA9
SCHEMBL6130586 0.76 PTGES2 (0.54) CA1CA2CA4CA12CA9
SCHEMBL11706743 0.74 ALDH1A1 (0.61) CA1CA2CA4CA12CA9
Disulfamide SCHEMBL309326 0.74 CA1 (0.61) CA1CA2CA4CA12CA9
SCHEMBL10810647 0.73 CA1 (0.70) CA1CA2CA4CA12CA9
SCHEMBL9515561 0.73 CA1 (0.78) CA1CA2CA4CA12CA9
SCHEMBL6038485 0.72 CA1 (0.64) CA1CA2CA4CA12CA9
SCHEMBL310205 0.71 CA1 (1.00) CA1CA2CA4CA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20080255101-A1 NITRIC OXIDE DONATING DIURETIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE NOS1, NOS3, NOS2 CA1 957/4885CA2 690/4885CA4 863/4885

“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.