SCHEMBL2880823

SCHEMBL2880823

Nc1cc(C(=O)O)cc(S(N)(=O)=O)c1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 1/20 0.47
CA1 P00915 14/20 0.47
CA2 P00918 14/20 0.47
CA4 P22748 5/20 0.47
CA7 P43166 6/20 0.46
CA12 O43570 5/20 0.46
CA6 P23280 5/20 0.46
CA5A P35218 5/20 0.46
CA9 Q16790 5/20 0.46
CA14 Q9ULX7 5/20 0.46
CA5B Q9Y2D0 5/20 0.46
CA3 P07451 4/20 0.46
CA13 Q8N1Q1 4/20 0.46
CISD1 Q9NZ45 1/20 0.46
CYP2C19 P33261 2/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
PKM P14618 1/20 0.45
CYP3A4 P08684 1/20 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
SCHEMBL9041431 0.84 CDC25B (0.46) CDC25BCYP1A2PKMCYP3A4LMNA
SCHEMBL9042101 0.84 CA1 (0.56) CA1CA2CA4CA7CA12
SCHEMBL11756625 0.82 CA1 (0.47) CDC25BCA1CA2CA4CA7
SCHEMBL11794834 0.81 CDC25B (0.50) CDC25BCA1CA2CA4CA7
SCHEMBL1931732 0.80 TPMT (0.54) CDC25BCA1CA2CA4CA7
SCHEMBL11543864 0.80 ALDH1A1 (0.46) CA1CA2CA4CA7CA12
SCHEMBL573694 0.80 PKM (0.44) CA1CA2CA4CA7CA12
SCHEMBL10281394 0.79 CDC25B (0.47) CDC25BCA1CA2CA4CA7
SCHEMBL13283935 0.79 PKM (0.49) CDC25BCA1CA2CA4CA7
SCHEMBL12831123 0.78 NEU3 (0.48) CDC25BCA1CA2CA4CA7

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 8 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
US-4596791-A Containing heterocyclic fused ring USV PHARMACEUTICAL CORP. (US) 1986-06-24 US disclosed
US-4176190-A Diuretic and saliuretic sulphamoylbenzoic acids CIBA-GEIGY CORPORATION (US) 1979-11-27 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 (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 CDC25B 4865/4885CA1 1022/4885CA2 471/4885
US-20190151263-A1 BUMETANIDE ANALGOS, COMPOSITIONS, AND METHODS OF USE SLC6A1, SLC6A11, SLC6A13 CDC25B 4860/4885CA1 701/4885CA2 388/4885
US-20120004225-A1 BUMETANIDE, FUROSEMIDE, PIRETANIDE, AZOSEMIDE, AND TORSEMIDE ANALOGS, COMPOSITIONS AND METHODS OF USE ABCG2, ABCB1, TRPV1 CDC25B 3365/4885CA1 1755/4885CA2 1572/4885
US-20150080350-A1 BUMETANIDE ANALOGS, COMPOSITIONS AND METHODS OF USE SLC6A1, SLC6A13, SLC6A11 CDC25B 3893/4885CA1 1762/4885CA2 1422/4885

“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.