SCHEMBL251610

SCHEMBL251610

NS(=O)(=O)c1ccccc1C(=O)C(O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 9/20 0.51
CA2 P00918 9/20 0.51
CA9 Q16790 6/20 0.51
LMNA P02545 3/20 0.50
CA5A P35218 2/20 0.50
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
MAPK1 P28482 1/20 0.46
CA12 O43570 2/20 0.41
CA14 Q9ULX7 2/20 0.41
SRC P12931 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CA4 P22748 2/20 0.40
CA6 P23280 2/20 0.40
CYP2C9 P11712 2/20 0.40
CA7 P43166 1/20 0.40
CA5B Q9Y2D0 1/20 0.40
MCL1 Q07820 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL9850273 0.86 LMNA (0.44) CA1CA2CA9LMNACA5A
SCHEMBL277752 0.85 LMNA (0.52) CA1CA2LMNACES2CES1
SCHEMBL3631033 0.83 BCAT2 (0.51) CA1CA2LMNACES2CES1
SCHEMBL2593899 0.81 LMNA (0.47) CA1CA2LMNACES2CES1
SCHEMBL16339817 0.81 LMNA (0.47) CA1CA2LMNACES2CES1
SCHEMBL11896558 0.80 CYP1A2 (0.54) CA1CA2CA9LMNACES2
SCHEMBL13281027 0.78 LMNA (0.45) CA1CA2LMNACES2CES1
SCHEMBL28770861 0.78 LMNA (0.45) LMNACES2CES1MAPK1SRC
SCHEMBL11033197 0.77 CA1 (0.59) CA1CA2CA9CA5ACA12
SCHEMBL28746292 0.77 LMNA (0.44) CA1CA2CA9LMNACES2

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 23 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
EP-4072532-A1 DOSAGE FORM FOR USE IN TREATING OR PREVENTING OF A DISEASE Evonik Operations GmbH (DE) 2022-10-19 EP 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
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 CA1 1155/4885CA2 238/4885CA9 1224/4885
US-20240009153-A1 BUMETANIDE ANALOGS, COMPOSITIONS AND METHODS OF USE SLC6A1, SLC6A13, SLC6A11 CA1 988/4885CA2 489/4885CA9 743/4885
US-20170246131-A1 BUMETANIDE ANALOGS, COMPOSITIONS, AND METHODS OF USE SLC6A1, SLC6A13, SLC6A11 CA1 1022/4885CA2 471/4885CA9 710/4885
US-20190151263-A1 BUMETANIDE ANALGOS, COMPOSITIONS, AND METHODS OF USE SLC6A1, SLC6A11, SLC6A13 CA1 701/4885CA2 388/4885CA9 641/4885
US-20120004225-A1 BUMETANIDE, FUROSEMIDE, PIRETANIDE, AZOSEMIDE, AND TORSEMIDE ANALOGS, COMPOSITIONS AND METHODS OF USE ABCG2, ABCB1, TRPV1 CA1 1755/4885CA2 1572/4885CA9 1396/4885
US-20180215765-A1 NEW BICYCLIC COMPOUNDS AS DUAL ATX/CA INHIBITORS ATXN2, ATXN2L, ATXN10 CA1 1536/4885CA2 473/4885CA9 1774/4885
US-20150080350-A1 BUMETANIDE ANALOGS, COMPOSITIONS AND METHODS OF USE SLC6A1, SLC6A13, SLC6A11 CA1 1762/4885CA2 1422/4885CA9 1040/4885
US-10647719-B2 Bicyclic compounds as dual ATX/CA inhibitors ATXN2, ATXN2L, ATXN10 CA1 1155/4885CA2 238/4885CA9 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.