SCHEMBL228969

SCHEMBL228969

NS(=O)(=O)c1cc(C(=O)OCCc2ccccc2)c(NCc2ccco2)cc1Cl

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 7/20 0.72
CA1 P00915 7/20 0.72
CA2 P00918 7/20 0.72
CA6 P23280 7/20 0.72
CA7 P43166 7/20 0.72
CA9 Q16790 7/20 0.72
CA14 Q9ULX7 7/20 0.72
CA5B Q9Y2D0 7/20 0.72
CA5A P35218 6/20 0.72
CISD1 Q9NZ45 4/20 0.72
CA4 P22748 2/20 0.72
ALDH1A1 P00352 1/20 0.72
HTR1A P08908 1/20 0.72
HSD11B1 P28845 1/20 0.72
SLC10A1 Q14973 1/20 0.72
GPR35 Q9HC97 1/20 0.72
ABCG2 Q9UNQ0 1/20 0.72
AQP1 P29972 1/20 0.65
APP P05067 9/20 0.59
TEX264 Q9Y6I9 1/20 0.57

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
SCHEMBL229100 0.94 CA12 (0.68) CA12CA1CA2CA6CA7
SCHEMBL12418662 0.92 CA12 (0.68) CA12CA1CA2CA6CA7
SCHEMBL230206 0.92 CA12 (0.73) CA12CA1CA2CA6CA7
SCHEMBL17000509 0.89 CA12 (0.71) CA12CA1CA2CA6CA7
SCHEMBL5153664 0.89 CA12 (0.74) CA12CA1CA2CA6CA7
SCHEMBL4412903 0.88 CISD1 (0.76) CA12CA1CA2CA6CA7
SCHEMBL2949798 0.88 CA12 (0.76) CA12CA1CA2CA6CA7
SCHEMBL2947218 0.87 CA12 (0.72) CA12CA1CA2CA6CA7
SCHEMBL12418669 0.87 CISD1 (0.69) CA12CA1CA2CA6CA7
SCHEMBL2954224 0.87 CA12 (0.71) 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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2389371-A2 BUMETANIDE, FUROSEMIDE, PIRETANIDE, AZOSEMIDE, AND TORSEMIDE ANALOGS, COMPOSITIONS AND METHODS OF USE Neurotherapeutics Pharma, Inc. (US) 2011-11-30 EP claimed
WO-2010085352-A2 BUMETANIDE, FUROSEMIDE, PIRETANIDE, AZOSEMIDE, AND TORSEMIDE ANALOGS, COMPOSITIONS AND METHODS OF USE NEUROTHERAPEUTICS PHARMA, INC. (US) 2010-07-29 WO claimed
US-20240009153-A1 BUMETANIDE ANALOGS, COMPOSITIONS AND METHODS OF USE NEUROPRO THERAPEUTICS, INC. 2024-01-11 US disclosed
US-20230293469-A1 NOVEL PHARMACEUTICAL COMPOSITIONS NEUROPRO THERAPEUTICS, INC. 2023-09-21 US disclosed
EP-4175626-A1 NOVEL PHARMACEUTICAL COMPOSITIONS NEUROPRO THERAPEUTICS, INC. (US) 2023-05-10 EP disclosed
WO-2022006392-A1 NOVEL PHARMACEUTICAL COMPOSITIONS NEUROPRO THERAPEUTICS, INC. (US) 2022-01-06 WO 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-20150080350-A1 BUMETANIDE ANALOGS, COMPOSITIONS AND METHODS OF USE NEUROPRO THERAPEUTICS INC. 2015-03-19 US disclosed
US-20120004225-A1 BUMETANIDE, FUROSEMIDE, PIRETANIDE, AZOSEMIDE, AND TORSEMIDE ANALOGS, COMPOSITIONS AND METHODS OF USE NEUROTHERAPEUTICS PHARMA, INC. (US) 2012-01-05 US disclosed
EP-2389371-A2 BUMETANIDE, FUROSEMIDE, PIRETANIDE, AZOSEMIDE, AND TORSEMIDE ANALOGS, COMPOSITIONS AND METHODS OF USE Neurotherapeutics Pharma, Inc. (US) 2011-11-30 EP 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

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

For each of this compound's patents that has machine-readable text (6 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-20240009153-A1 BUMETANIDE ANALOGS, COMPOSITIONS AND METHODS OF USE SLC6A1, SLC6A13, SLC6A11 CA12 1338/4885CA1 988/4885CA2 489/4885
US-20170246131-A1 BUMETANIDE ANALOGS, COMPOSITIONS, AND METHODS OF USE SLC6A1, SLC6A13, SLC6A11 CA12 1444/4885CA1 1022/4885CA2 471/4885
US-20190151263-A1 BUMETANIDE ANALGOS, COMPOSITIONS, AND METHODS OF USE SLC6A1, SLC6A11, SLC6A13 CA12 1049/4885CA1 701/4885CA2 388/4885
US-20120004225-A1 BUMETANIDE, FUROSEMIDE, PIRETANIDE, AZOSEMIDE, AND TORSEMIDE ANALOGS, COMPOSITIONS AND METHODS OF USE ABCG2, ABCB1, TRPV1 CA12 2528/4885CA1 1755/4885CA2 1572/4885
US-20150080350-A1 BUMETANIDE ANALOGS, COMPOSITIONS AND METHODS OF USE SLC6A1, SLC6A13, SLC6A11 CA12 2583/4885CA1 1762/4885CA2 1422/4885
US-20230293469-A1 NOVEL PHARMACEUTICAL COMPOSITIONS ABCG2, SLC18A1, CFTR CA12 4599/4885CA1 4584/4885CA2 3715/4885

“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.