SCHEMBL12418662

SCHEMBL12418662

NS(=O)(=O)c1cc(C(=O)OCCOCc2ccccc2)c(NCc2ccco2)cc1Cl

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 7/20 0.68
CA1 P00915 7/20 0.68
CA2 P00918 7/20 0.68
CA9 Q16790 7/20 0.68
CA6 P23280 6/20 0.68
CA7 P43166 6/20 0.68
CA14 Q9ULX7 6/20 0.68
CA5B Q9Y2D0 6/20 0.68
CA5A P35218 5/20 0.68
CISD1 Q9NZ45 4/20 0.68
ALDH1A1 P00352 1/20 0.68
HTR1A P08908 1/20 0.68
CA4 P22748 1/20 0.68
HSD11B1 P28845 1/20 0.68
SLC10A1 Q14973 1/20 0.68
GPR35 Q9HC97 1/20 0.68
ABCG2 Q9UNQ0 1/20 0.68
AQP1 P29972 1/20 0.62
APP P05067 9/20 0.57
TEX264 Q9Y6I9 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
SCHEMBL230206 0.93 CA12 (0.73) CA12CA1CA2CA9CA6
SCHEMBL228969 0.92 CA12 (0.72) CA12CA1CA2CA9CA6
SCHEMBL229100 0.90 CA12 (0.68) CA12CA1CA2CA9CA6
SCHEMBL12418669 0.88 CISD1 (0.69) CA12CA1CA2CA9CA6
SCHEMBL17000509 0.86 CA12 (0.71) CA12CA1CA2CA9CA6
SCHEMBL22971336 0.86 CA12 (0.66) CA12CA1CA2CA9CA6
SCHEMBL5153664 0.86 CA12 (0.74) CA12CA1CA2CA9CA6
SCHEMBL4412903 0.85 CISD1 (0.76) CA12CA1CA2CA9CA6
SCHEMBL2949798 0.85 CA12 (0.76) CA12CA1CA2CA9CA6
SCHEMBL2947218 0.85 CA12 (0.72) CA12CA1CA2CA9CA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9248131-B2 Aquaporin modulators and methods of using them for the treatment of edema and fluid imbalance ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2016-02-02 US disclosed
US-9248131-B2 Aquaporin modulators and methods of using them for the treatment of edema and fluid imbalance ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2016-02-02 US disclosed
US-20150224108-A1 AQUAPORIN MODULATORS AND METHODS OF USING THEM FOR THE TREATMENT OF EDEMA AND FLUID IMBALANCE UNIV ARIZONA STATE (US) 2015-08-13 US disclosed
US-20150224108-A1 AQUAPORIN MODULATORS AND METHODS OF USING THEM FOR THE TREATMENT OF EDEMA AND FLUID IMBALANCE UNIV ARIZONA STATE (US) 2015-08-13 US disclosed
US-8835491-B2 Aquaporin modulators and methods of using them for the treatment of edema and fluid imbalance ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2014-09-16 US disclosed
US-8835491-B2 Aquaporin modulators and methods of using them for the treatment of edema and fluid imbalance ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2014-09-16 US disclosed
US-20110172195-A1 AQUAPORIN MODULATORS AND METHODS OF USING THEM FOR THE TREATMENT OF EDEMA AND FLUID IMBALANCE ARIZONA BOARD OF REG. ON BEHALF OF THE UNIV. OF AZ (US) 2011-07-14 US disclosed
US-20110172195-A1 AQUAPORIN MODULATORS AND METHODS OF USING THEM FOR THE TREATMENT OF EDEMA AND FLUID IMBALANCE ARIZONA BOARD OF REG. ON BEHALF OF THE UNIV. OF AZ (US) 2011-07-14 US disclosed
US-7906555-B2 Aquaporin modulators and methods of using them for the treatment of edema and fluid imbalance ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2011-03-15 US disclosed
US-7906555-B2 Aquaporin modulators and methods of using them for the treatment of edema and fluid imbalance ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2011-03-15 US disclosed
US-20080221169-A1 3-carboxy aryl sulfonamide compounds, which agonize or antagonize aquaporin channels; brain trauma, head trauma, eye disorder, pulmonary disorder, lung disease, vascular disease, kidney disease, heavy metal toxicity, Alzheimer's disease, tumor, and cancer ARIZONA BOARD OF REG. ON BEHALF OF THE UNIV. OF AZ (US) 2008-09-11 US disclosed
US-20080221169-A1 3-carboxy aryl sulfonamide compounds, which agonize or antagonize aquaporin channels; brain trauma, head trauma, eye disorder, pulmonary disorder, lung disease, vascular disease, kidney disease, heavy metal toxicity, Alzheimer's disease, tumor, and cancer ARIZONA BOARD OF REG. ON BEHALF OF THE UNIV. OF AZ (US) 2008-09-11 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 (3 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-20080221169-A1 3-carboxy aryl sulfonamide compounds, which agonize or antagonize aquaporin channels; brain trauma, head trauma, eye disorder, pulmonary disorder, lung disease, vascular disease, kidney disease, heavy metal toxicity, Alzheimer's disease, tumor, and cancer AQP4, AQP3, AQP1 CA12 372/4885CA1 223/4885CA2 12/4885
US-20150224108-A1 AQUAPORIN MODULATORS AND METHODS OF USING THEM FOR THE TREATMENT OF EDEMA AND FLUID IMBALANCE AQP1, AQP4, AQP3 CA12 1649/4885CA1 1196/4885CA2 168/4885
US-20110172195-A1 AQUAPORIN MODULATORS AND METHODS OF USING THEM FOR THE TREATMENT OF EDEMA AND FLUID IMBALANCE AQP1, AQP4, AQP3 CA12 1649/4885CA1 1196/4885CA2 168/4885

“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.