SCHEMBL2879259

SCHEMBL2879259

CCCCNc1cc(Cl)c(S(N)(=O)=O)cc1C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CISD1 Q9NZ45 14/20 1.00
CA12 O43570 8/20 0.63
CA1 P00915 8/20 0.63
CA2 P00918 8/20 0.63
CA6 P23280 8/20 0.63
CA7 P43166 8/20 0.63
CA9 Q16790 8/20 0.63
CA14 Q9ULX7 8/20 0.63
CA5B Q9Y2D0 8/20 0.63
CA5A P35218 7/20 0.63
CA3 P07451 7/20 0.63
CA13 Q8N1Q1 5/20 0.63
CA4 P22748 5/20 0.62
ALDH1A1 P00352 1/20 0.57
HTR1A P08908 1/20 0.57
HSD11B1 P28845 1/20 0.57
SLC10A1 Q14973 1/20 0.57
GPR35 Q9HC97 1/20 0.57
ABCG2 Q9UNQ0 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
SCHEMBL22499553 0.90 CISD1 (0.81) CISD1CA12CA1CA2CA6
SCHEMBL11825299 0.88 CISD1 (0.79) CISD1CA12CA1CA2CA6
SCHEMBL2880726 0.88 CISD1 (0.78) CISD1CA12CA1CA2CA6
SCHEMBL22499530 0.85 CISD1 (0.82) CISD1CA12CA1CA2CA6
SCHEMBL22499473 0.85 CISD1 (0.82) CISD1CA12CA1CA2CA6
Hydrochloric Acid SCHEMBL9017006 0.83 CISD1 (0.70) CISD1CA12CA1CA2CA6
SCHEMBL18993722 0.80 CISD1 (0.66) CISD1CA12CA1CA2CA6
SCHEMBL2874848 0.80 CISD1 (0.66) CISD1CA12CA1CA2CA6
SCHEMBL2880148 0.78 CISD1 (0.64) CISD1CA12CA1CA2CA6
SCHEMBL10602742 0.78 CA2 (0.64) CISD1CA12CA1CA2CA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (4 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 CISD1 3887/4885CA12 1444/4885CA1 1022/4885
US-20190151263-A1 BUMETANIDE ANALGOS, COMPOSITIONS, AND METHODS OF USE SLC6A1, SLC6A11, SLC6A13 CISD1 3822/4885CA12 1049/4885CA1 701/4885
US-20120004225-A1 BUMETANIDE, FUROSEMIDE, PIRETANIDE, AZOSEMIDE, AND TORSEMIDE ANALOGS, COMPOSITIONS AND METHODS OF USE ABCG2, ABCB1, TRPV1 CISD1 1251/4885CA12 2528/4885CA1 1755/4885
US-20150080350-A1 BUMETANIDE ANALOGS, COMPOSITIONS AND METHODS OF USE SLC6A1, SLC6A13, SLC6A11 CISD1 1952/4885CA12 2583/4885CA1 1762/4885

“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.