SCHEMBL4412903

SCHEMBL4412903

NS(=O)(=O)c1cc(C(=O)OCC(=O)O)c(NCc2ccco2)cc1Cl

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CISD1 Q9NZ45 4/20 0.76
CA12 O43570 4/20 0.76
CA1 P00915 4/20 0.76
CA2 P00918 4/20 0.76
CA6 P23280 4/20 0.76
CA7 P43166 4/20 0.76
CA9 Q16790 4/20 0.76
CA14 Q9ULX7 4/20 0.76
CA5B Q9Y2D0 4/20 0.76
CA5A P35218 3/20 0.76
ALDH1A1 P00352 3/20 0.76
HTR1A P08908 1/20 0.76
CA4 P22748 1/20 0.76
HSD11B1 P28845 1/20 0.76
SLC10A1 Q14973 1/20 0.76
GPR35 Q9HC97 1/20 0.76
ABCG2 Q9UNQ0 1/20 0.76
APP P05067 9/20 0.62
AQP1 P29972 1/20 0.60
TEX264 Q9Y6I9 1/20 0.53

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
SCHEMBL4017488 0.92 CISD1 (0.73) CISD1CA12CA1CA2CA6
SCHEMBL2949798 0.90 CA12 (0.76) CISD1CA12CA1CA2CA6
SCHEMBL2947218 0.90 CA12 (0.72) CISD1CA12CA1CA2CA6
SCHEMBL231262 0.89 CA12 (0.74) CISD1CA12CA1CA2CA6
SCHEMBL21019469 0.89 CA12 (0.74) CISD1CA12CA1CA2CA6
SCHEMBL5153664 0.89 CA12 (0.74) CISD1CA12CA1CA2CA6
SCHEMBL229243 0.89 CA1 (0.74) CISD1CA12CA1CA2CA6
SCHEMBL4422550 0.89 CA12 (0.68) CISD1CA12CA1CA2CA6
SCHEMBL230612 0.89 CISD1 (0.68) CISD1CA12CA1CA2CA6
SCHEMBL230206 0.89 CA12 (0.73) CISD1CA12CA1CA2CA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210040111-A1 DRUGS TO TREAT OCULAR DISORDERS Graybug Vision, Inc. (US) 2021-02-11 US disclosed
EP-1668008-A4 NITROSATED AD NITROSYLATED DIURETIC COMPOUDS, COMPOSITIONS AND METHODS OF USE NITROMED INC (US) 2009-02-25 EP disclosed
US-7282519-B2 Nitrosated and nitrosylated diuretic compounds, compositions and methods of use NITROMED, INC. (US) 2007-10-16 US disclosed
US-7282519-B2 Nitrosated and nitrosylated diuretic compounds, compositions and methods of use NITROMED, INC. (US) 2007-10-16 US disclosed
US-7282519-B2 Nitrosated and nitrosylated diuretic compounds, compositions and methods of use NITROMED, INC. (US) 2007-10-16 US disclosed
EP-1668008-A2 NITROSATED AD NITROSYLATED DIURETIC COMPOUDS, COMPOSITIONS AND METHODS OF USE Nitromed, Inc. (US) 2006-06-14 EP disclosed
WO-2005023183-A2 NITROSATED AD NITROSYLATED DIURETIC COMPOUDS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2005-03-17 WO disclosed
WO-2005023183-A2 NITROSATED AD NITROSYLATED DIURETIC COMPOUDS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2005-03-17 WO disclosed
US-20050059655-A1 Nitrosated and nitrosylated diuretic compounds, compositions and methods of use NITROMED, INC. (US) 2005-03-17 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-20210040111-A1 DRUGS TO TREAT OCULAR DISORDERS PDE6C, AGER, PDE6A CISD1 1905/4885CA12 3912/4885CA1 3247/4885
US-20050059655-A1 Nitrosated and nitrosylated diuretic compounds, compositions and methods of use REN, NOS1, NOS3 CISD1 2233/4885CA12 1897/4885CA1 1129/4885

“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.