SCHEMBL2741876

SCHEMBL2741876

CCN(C)c1cc(C(=O)O)cc(S(N)(=O)=O)c1Oc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
LMNA P02545 3/20 0.59
KDM4E B2RXH2 2/20 0.59
USP2 O75604 2/20 0.59
HPGD P15428 2/20 0.59
HIF1A Q16665 2/20 0.59
HSD17B10 Q99714 2/20 0.59
CA2 P00918 2/20 0.59
TSHR P16473 1/20 0.59
BLM P54132 1/20 0.59
SLC12A2 P55011 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
SLC6A4 P31645 1/20 0.55
AQP1 P29972 1/20 0.43
PTGS2 P35354 3/20 0.42
PKM P14618 1/20 0.40
POLB P06746 2/20 0.38
NSD2 O96028 1/20 0.38
ESR1 P03372 1/20 0.38
APEX1 P27695 1/20 0.38

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
SCHEMBL2741881 0.91 CA2 (0.60) ALDH1A1LMNAKDM4EUSP2HPGD
SCHEMBL574683 0.89 ALDH1A1 (0.60) ALDH1A1LMNAKDM4EUSP2HPGD
SCHEMBL11840411 0.89 LMNA (0.63) ALDH1A1LMNAKDM4EUSP2HPGD
SCHEMBL2741877 0.88 KDM4E (0.62) ALDH1A1LMNAKDM4EUSP2HPGD
SCHEMBL572711 0.88 LMNA (0.62) ALDH1A1LMNAKDM4EUSP2HPGD
SCHEMBL2741879 0.87 KDM4E (0.61) ALDH1A1LMNAKDM4EUSP2HPGD
SCHEMBL11795238 0.86 ALDH1A1 (0.57) ALDH1A1LMNAKDM4EUSP2HPGD
SCHEMBL15677231 0.85 ALDH1A1 (0.56) ALDH1A1LMNAKDM4EUSP2HPGD
SCHEMBL2741882 0.85 ALDH1A1 (0.59) ALDH1A1LMNAKDM4EUSP2HPGD
SCHEMBL2741884 0.85 CA2 (0.61) ALDH1A1LMNAKDM4EUSP2HPGD

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 10 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-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
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 (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 ALDH1A1 889/4885LMNA 3992/4885KDM4E 2228/4885
US-20190151263-A1 BUMETANIDE ANALGOS, COMPOSITIONS, AND METHODS OF USE SLC6A1, SLC6A11, SLC6A13 ALDH1A1 625/4885LMNA 4297/4885KDM4E 2764/4885
US-20120004225-A1 BUMETANIDE, FUROSEMIDE, PIRETANIDE, AZOSEMIDE, AND TORSEMIDE ANALOGS, COMPOSITIONS AND METHODS OF USE ABCG2, ABCB1, TRPV1 ALDH1A1 1389/4885LMNA 3023/4885KDM4E 3528/4885
US-20150080350-A1 BUMETANIDE ANALOGS, COMPOSITIONS AND METHODS OF USE SLC6A1, SLC6A13, SLC6A11 ALDH1A1 845/4885LMNA 3842/4885KDM4E 3717/4885

“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.