SCHEMBL227470

SCHEMBL227470

CC(C)(C)C(=O)OCOC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1NCc1ccco1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.68
CA1 P00915 5/20 0.68
CA2 P00918 5/20 0.68
CA6 P23280 5/20 0.68
CA7 P43166 5/20 0.68
CA9 Q16790 5/20 0.68
CA14 Q9ULX7 5/20 0.68
CA5B Q9Y2D0 5/20 0.68
CISD1 Q9NZ45 4/20 0.68
CA5A P35218 4/20 0.68
ALDH1A1 P00352 2/20 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
APP P05067 9/20 0.61
AQP1 P29972 1/20 0.56
TEX264 Q9Y6I9 1/20 0.50

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
SCHEMBL16062616 0.92 CA12 (0.67) CA12CA1CA2CA6CA7
SCHEMBL12418612 0.91 CA12 (0.70) CA12CA1CA2CA6CA7
SCHEMBL230351 0.90 CISD1 (0.69) CA12CA1CA2CA6CA7
SCHEMBL2960877 0.90 CA12 (0.71) CA12CA1CA2CA6CA7
SCHEMBL21423525 0.88 CA12 (0.69) CA12CA1CA2CA6CA7
SCHEMBL229243 0.88 CA1 (0.74) CA12CA1CA2CA6CA7
SCHEMBL5079675 0.87 CISD1 (0.65) CA12CA1CA2CA6CA7
SCHEMBL2956943 0.87 CISD1 (0.65) CA12CA1CA2CA6CA7
SCHEMBL2949798 0.87 CA12 (0.76) CA12CA1CA2CA6CA7
SCHEMBL230392 0.86 APP (0.79) CA12CA1CA2CA6CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240009153-A1 BUMETANIDE ANALOGS, COMPOSITIONS AND METHODS OF USE NEUROPRO THERAPEUTICS, INC. 2024-01-11 US disclosed
US-20220071935-A1 BUMETANIDE ANALOGS, COMPOSITIONS AND METHODS OF USE NEUROPRO THERAPEUTICS, INC. 2022-03-10 US disclosed
US-20190151263-A1 BUMETANIDE ANALGOS, COMPOSITIONS, AND METHODS OF USE NEUROPRO THERAPEUTICS INC (US) 2019-05-23 US disclosed
US-20170246131-A1 BUMETANIDE ANALOGS, COMPOSITIONS, AND METHODS OF USE NEUROPRO THERAPEUTICS INC (US) 2017-08-31 US disclosed
US-9682928-B2 Bumetanide analogs, compositions and methods of use NEUROPRO THERAPEUTICS, INC. (US) 2017-06-20 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-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-20150080350-A1 BUMETANIDE ANALOGS, COMPOSITIONS AND METHODS OF USE NEUROPRO THERAPEUTICS INC. 2015-03-19 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
WO-2010085352-A2 BUMETANIDE, FUROSEMIDE, PIRETANIDE, AZOSEMIDE, AND TORSEMIDE ANALOGS, COMPOSITIONS AND METHODS OF USE NEUROTHERAPEUTICS PHARMA, INC. (US) 2010-07-29 WO disclosed
US-20090215754-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF NEUROPSYCHIATRIC AND ADDICTIVE DISORDERS NEUROTHERAPEUTICS PHARMA, INC. 2009-08-27 US disclosed
EP-1874286-A4 METHODS AND COMPOSITIONS FOR THE TREATMENT OF ANXIETY DISORDERS NEUROTHERAPEUTICS PHARMA INC (US) 2009-07-01 EP 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
EP-1874286-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF ANXIETY DISORDERS Neurotherapeutics Pharma LLC (US) 2008-01-09 EP disclosed
US-20070149526-A1 Diuretic and diuretic-like compound analogs NEUROTHERAPEUTICS PHARMA, L.L.C. 2007-06-28 US disclosed
WO-2006110187-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF ANXIETY DISORDERS NEUROTHERAPEUTICS PHARMA LLC (US) 2006-10-19 WO disclosed
US-20060089350-A1 Methods and compositions for the treatment of neuropsychiatric disorders NEUROTHERAPEUTICS PHARMA LLC (US) 2006-04-27 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 (10 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-20240009153-A1 BUMETANIDE ANALOGS, COMPOSITIONS AND METHODS OF USE SLC6A1, SLC6A13, SLC6A11 CA12 1338/4885CA1 988/4885CA2 489/4885
US-20060089350-A1 Methods and compositions for the treatment of neuropsychiatric disorders SLC1A2, SLC18A2, GRIN2C CA12 1092/4885CA1 490/4885CA2 308/4885
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-20170246131-A1 BUMETANIDE ANALOGS, COMPOSITIONS, AND METHODS OF USE SLC6A1, SLC6A13, SLC6A11 CA12 1444/4885CA1 1022/4885CA2 471/4885
US-20220071935-A1 BUMETANIDE ANALOGS, COMPOSITIONS AND METHODS OF USE SLC6A1, SLC6A13, SLC6A11 CA12 1338/4885CA1 988/4885CA2 489/4885
US-20190151263-A1 BUMETANIDE ANALGOS, COMPOSITIONS, AND METHODS OF USE SLC6A1, SLC6A11, SLC6A13 CA12 1049/4885CA1 701/4885CA2 388/4885
US-20070149526-A1 Diuretic and diuretic-like compound analogs AQP4, AVPR2, AQP1 CA12 1656/4885CA1 559/4885CA2 708/4885
US-20090215754-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF NEUROPSYCHIATRIC AND ADDICTIVE DISORDERS SLC6A2, SLC1A2, SLC18A2 CA12 1302/4885CA1 847/4885CA2 408/4885
US-20150080350-A1 BUMETANIDE ANALOGS, COMPOSITIONS AND METHODS OF USE SLC6A1, SLC6A13, SLC6A11 CA12 2583/4885CA1 1762/4885CA2 1422/4885

“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.