SCHEMBL2875469

SCHEMBL2875469

COC(=O)c1cc(N)c(Oc2ccccc2)c(S(N)(=O)=O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.52
KDM4E B2RXH2 5/20 0.52
ALDH1A1 P00352 4/20 0.52
HSD17B10 Q99714 4/20 0.52
CA2 P00918 4/20 0.52
USP2 O75604 3/20 0.52
LMNA P02545 3/20 0.52
HIF1A Q16665 2/20 0.52
TSHR P16473 2/20 0.52
BLM P54132 1/20 0.52
SLC12A2 P55011 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
GAA P10253 2/20 0.51
PKM P14618 2/20 0.51
SLC6A4 P31645 1/20 0.50
CA1 P00915 3/20 0.47
CA9 Q16790 2/20 0.47
CA5A P35218 1/20 0.47
AQP1 P29972 1/20 0.44
PTGS2 P35354 3/20 0.43

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
SCHEMBL11542639 0.90 CA2 (0.46) HPGDKDM4EALDH1A1HSD17B10CA2
SCHEMBL14879659 0.90 ALDH1A1 (0.51) HPGDKDM4EALDH1A1HSD17B10CA2
SCHEMBL11542762 0.89 KDM4E (0.44) HPGDKDM4EALDH1A1HSD17B10CA2
SCHEMBL11544117 0.88 ALDH1A1 (0.45) HPGDKDM4EALDH1A1HSD17B10CA2
SCHEMBL11546751 0.88 ALDH1A1 (0.49) HPGDKDM4EALDH1A1HSD17B10CA2
SCHEMBL574020 0.87 HSD17B10 (0.64) HPGDKDM4EALDH1A1HSD17B10CA2
SCHEMBL11381561 0.86 ALDH1A1 (0.52) HPGDKDM4EALDH1A1HSD17B10CA2
SCHEMBL573278 0.86 ALDH1A1 (0.48) HPGDKDM4EALDH1A1HSD17B10CA2
SCHEMBL11545452 0.86 USP2 (0.54) HPGDKDM4EALDH1A1HSD17B10USP2
Hydrochloric Acid SCHEMBL4751053 0.85 HSD17B10 (0.62) HPGDKDM4EALDH1A1HSD17B10CA2

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 12 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-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-4288449-A DIURETICS BASF AKTIENGESELLSCHAFT (DE) 1981-09-08 US disclosed
US-4161531-A Diuretic and saluretic 5-sulfamoylbenzoic acid derivatives carrying a heterocyclic substituent HOECHST AKTIENGESELLSCHAFT (DE) 1979-07-17 US disclosed
US-4118397-A DIURETICS HOECHST AKTIENGESELLSCHAFT (DE) 1978-10-03 US disclosed
US-4111953-A DIURETICS HOECHST AKTIENGESELLSCHAFT (DE) 1978-09-05 US disclosed
US-4093735-A DIURETICS HOECHST AKTIENGESELLSCHAFT (DT) 1978-06-06 US disclosed
US-4010273-A DIURETICS, SALURETICS HOECHST AKTIENGESELLSCHAFT (DT) 1977-03-01 US disclosed
US-3991097-A BORON HYDRIDE OR METAL BOROHYDRIDES AS REDUCING AGENT, LEWIS ACID HOECHST AKTIENGESELLSCHAFT (DT) 1976-11-09 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 (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-20190151263-A1 BUMETANIDE ANALGOS, COMPOSITIONS, AND METHODS OF USE SLC6A1, SLC6A11, SLC6A13 HPGD 1048/4885KDM4E 2764/4885ALDH1A1 625/4885
US-20120004225-A1 BUMETANIDE, FUROSEMIDE, PIRETANIDE, AZOSEMIDE, AND TORSEMIDE ANALOGS, COMPOSITIONS AND METHODS OF USE ABCG2, ABCB1, TRPV1 HPGD 1760/4885KDM4E 3528/4885ALDH1A1 1389/4885
US-20150080350-A1 BUMETANIDE ANALOGS, COMPOSITIONS AND METHODS OF USE SLC6A1, SLC6A13, SLC6A11 HPGD 1748/4885KDM4E 3717/4885ALDH1A1 845/4885

“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.