SCHEMBL2741841

SCHEMBL2741841

CCCCNc1cc(C(=O)O)cc(S(N)(=O)=O)c1C

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.65
KDM4E B2RXH2 1/20 0.65
USP2 O75604 1/20 0.65
ALDH1A1 P00352 1/20 0.65
LMNA P02545 1/20 0.65
HPGD P15428 1/20 0.65
TSHR P16473 1/20 0.65
BLM P54132 1/20 0.65
SLC12A2 P55011 1/20 0.65
HIF1A Q16665 1/20 0.65
NPSR1 Q6W5P4 1/20 0.65
HSD17B10 Q99714 1/20 0.65
CISD1 Q9NZ45 8/20 0.57
PTGS2 P35354 3/20 0.48
AQP1 P29972 1/20 0.47
HCAR3 P49019 2/20 0.44
MAPT P10636 2/20 0.44
GAA P10253 1/20 0.44
CA12 O43570 3/20 0.42
CA1 P00915 3/20 0.42

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
SCHEMBL2741845 0.86 CA2 (0.64) CA2KDM4EUSP2ALDH1A1LMNA
SCHEMBL2741846 0.86 CA2 (0.64) CA2KDM4EUSP2ALDH1A1LMNA
SCHEMBL573193 0.86 CA2 (0.64) CA2KDM4EUSP2ALDH1A1LMNA
SCHEMBL13283936 0.84 KDM4E (0.51) CA2KDM4EUSP2ALDH1A1LMNA
SCHEMBL2741848 0.84 CA2 (0.61) CA2KDM4EUSP2ALDH1A1LMNA
SCHEMBL2741844 0.84 KDM4E (0.74) CA2KDM4EUSP2ALDH1A1LMNA
SCHEMBL22499500 0.83 KDM4E (0.63) CA2KDM4EUSP2ALDH1A1LMNA
SCHEMBL2741849 0.83 CA2 (0.60) CA2KDM4EUSP2ALDH1A1LMNA
SCHEMBL2879247 0.82 CA2 (0.68) CA2KDM4EUSP2ALDH1A1LMNA
SCHEMBL2741850 0.82 CA2 (0.59) CA2KDM4EUSP2ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2790686-B1 TREATMENT OF TINNITUS THROUGH MODULATION OF CHLORIDE CO-TRANSPORTER NKCC1 IN THE AUDITORY SYSTEM Zilentin AG (CH) 2021-03-10 EP disclosed
US-20170246131-A1 BUMETANIDE ANALOGS, COMPOSITIONS, AND METHODS OF USE NEUROPRO THERAPEUTICS INC (US) 2017-08-31 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-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-20150080350-A1 BUMETANIDE ANALOGS, COMPOSITIONS AND METHODS OF USE NEUROPRO THERAPEUTICS INC. 2015-03-19 US 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
US-20120004225-A1 BUMETANIDE, FUROSEMIDE, PIRETANIDE, AZOSEMIDE, AND TORSEMIDE ANALOGS, COMPOSITIONS AND METHODS OF USE NEUROTHERAPEUTICS PHARMA, INC. (US) 2012-01-05 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

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-20170246131-A1 BUMETANIDE ANALOGS, COMPOSITIONS, AND METHODS OF USE SLC6A1, SLC6A13, SLC6A11 CA2 471/4885KDM4E 2228/4885USP2 3353/4885
US-20120004225-A1 BUMETANIDE, FUROSEMIDE, PIRETANIDE, AZOSEMIDE, AND TORSEMIDE ANALOGS, COMPOSITIONS AND METHODS OF USE ABCG2, ABCB1, TRPV1 CA2 1572/4885KDM4E 3528/4885USP2 4684/4885
US-20150080350-A1 BUMETANIDE ANALOGS, COMPOSITIONS AND METHODS OF USE SLC6A1, SLC6A13, SLC6A11 CA2 1422/4885KDM4E 3717/4885USP2 4533/4885

“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.