SCHEMBL251609

SCHEMBL251609

NS(=O)(=O)C(O)(C(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.46
CA1 P00915 4/20 0.46
CA9 Q16790 4/20 0.46
CA5A P35218 1/20 0.46
CES1 P23141 3/20 0.44
SRC P12931 1/20 0.41
MAPT P10636 3/20 0.39
TSHR P16473 2/20 0.39
CYP2C19 P33261 2/20 0.39
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.39
PARP1 P09874 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CA12 O43570 3/20 0.39
CA14 Q9ULX7 2/20 0.39

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
SCHEMBL826993 0.83 CES1 (0.46) CA2CA1CA9CA5ACES1
SCHEMBL3631032 0.81 CES1 (0.49) CES1SRCMAPTTSHRCYP2C19
SCHEMBL2593896 0.77 CES1 (0.44) CA2CA1CA9CA5ACES1
SCHEMBL16339816 0.77 CES1 (0.45) CA2CA1CA9CES1SRC
SCHEMBL11896557 0.77 CES1 (0.45) CES1SRCMAPTTSHRCYP2C19
SCHEMBL31159523 0.76 CES1 (0.47) CA2CA1CA9CA5ACES1
SCHEMBL13281025 0.76 CES1 (0.40) CES1SRCKMT2AALDH1A1SMN1; SMN2
SCHEMBL31159402 0.75 MAPT (0.47) CA2CA1CA9CA5ACES1
SCHEMBL13280384 0.73 ALDH1A1 (0.40) CES1SRCMAPTCYP3A4TDP1
SCHEMBL12544998 0.73 CES1 (0.41) CES1SRCL3MBTL1CES2ALDH1A1

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 22 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-20200223854-A1 BICYCLIC COMPOUNDS AS DUAL ATX/CA INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2020-07-16 US disclosed
US-10647719-B2 Bicyclic compounds as dual ATX/CA inhibitors HOFFMANN-LA ROCHE INC. (US) 2020-05-12 US disclosed
EP-2887806-B1 METHOD OF TREATING AND PREVENTING BRAIN IMPAIRMENT USING NA+-K+ -2CI- COTRANSPORTER ISOFORM 1 INHIBITORS UNIV ROCHESTER (US) 2019-11-13 EP disclosed
US-20190151263-A1 BUMETANIDE ANALGOS, COMPOSITIONS, AND METHODS OF USE NEUROPRO THERAPEUTICS INC (US) 2019-05-23 US disclosed
US-20180215765-A1 NEW BICYCLIC COMPOUNDS AS DUAL ATX/CA INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2018-08-02 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-9616075-B2 Method of treating and preventing brain impairment using Na+-K+-2Cl-cotransporter isoform 1 inhibitors UNIVERSITY OF ROCHESTER (US) 2017-04-11 US disclosed
CN-105670833-A Non-foaming low-temperature soaping agent for reactive dye and preparation method thereof 苏州三和开泰花线织造有限公司 2016-06-15 CN disclosed
US-20150080350-A1 BUMETANIDE ANALOGS, COMPOSITIONS AND METHODS OF USE NEUROPRO THERAPEUTICS INC. 2015-03-19 US disclosed
WO-2014014519-A1 METHOD OF TREATING AND PREVENTING BRAIN IMPAIRMENT USING NA+-K+ -2CI- COTRANSPORTER ISOFORM 1 INHIBITORS UNIVERSITY OF ROCHESTER (US) 2014-01-23 WO disclosed
EP-2598478-A2 ARYLSULFONAMIDE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE Neurotherapeutics Pharma, Inc. (US) 2013-06-05 EP disclosed
WO-2013059648-A1 2,3,5 TRISUBSTITUTED ARYL AND HETEROARYL AMINO DERIVATIVES, COMPOSITIONS, AND METHODS OF USE NEUROTHERAPEUTICS PHARMA, INC. (US) 2013-04-25 WO disclosed
WO-2012018635-A2 ARYLSULFONAMIDE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE NEUROTHERAPEUTICS PHARMA, INC. (US) 2012-02-09 WO 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
WO-2006011719-A1 N-SUBSTITUTED-SULFAMOYLBENZOIC ACID DERIVATIVES, METHOD FOR PREPARING THEREOF AND ANTIVIRAL PHARMACEUTICAL COMPOSITION COMPRISING THE SAME B & C BIOPHARM CO., LTD. (KR) 2006-02-02 WO disclosed
US-4161531-A Diuretic and saluretic 5-sulfamoylbenzoic acid derivatives carrying a heterocyclic substituent HOECHST AKTIENGESELLSCHAFT (DE) 1979-07-17 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 (8 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-20200223854-A1 BICYCLIC COMPOUNDS AS DUAL ATX/CA INHIBITORS ATXN2, ATXN2L, ATXN10 CA2 238/4885CA1 1155/4885CA9 1224/4885
US-20240009153-A1 BUMETANIDE ANALOGS, COMPOSITIONS AND METHODS OF USE SLC6A1, SLC6A13, SLC6A11 CA2 489/4885CA1 988/4885CA9 743/4885
US-20170246131-A1 BUMETANIDE ANALOGS, COMPOSITIONS, AND METHODS OF USE SLC6A1, SLC6A13, SLC6A11 CA2 471/4885CA1 1022/4885CA9 710/4885
US-20190151263-A1 BUMETANIDE ANALGOS, COMPOSITIONS, AND METHODS OF USE SLC6A1, SLC6A11, SLC6A13 CA2 388/4885CA1 701/4885CA9 641/4885
US-20120004225-A1 BUMETANIDE, FUROSEMIDE, PIRETANIDE, AZOSEMIDE, AND TORSEMIDE ANALOGS, COMPOSITIONS AND METHODS OF USE ABCG2, ABCB1, TRPV1 CA2 1572/4885CA1 1755/4885CA9 1396/4885
US-20180215765-A1 NEW BICYCLIC COMPOUNDS AS DUAL ATX/CA INHIBITORS ATXN2, ATXN2L, ATXN10 CA2 473/4885CA1 1536/4885CA9 1774/4885
US-20150080350-A1 BUMETANIDE ANALOGS, COMPOSITIONS AND METHODS OF USE SLC6A1, SLC6A13, SLC6A11 CA2 1422/4885CA1 1762/4885CA9 1040/4885
US-10647719-B2 Bicyclic compounds as dual ATX/CA inhibitors ATXN2, ATXN2L, ATXN10 CA2 238/4885CA1 1155/4885CA9 1224/4885

“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.