SCHEMBL11784497

SCHEMBL11784497

CCCCNc1cc(C(=O)OCC)cc(S(N)(=O)=O)c1Oc1ccccc1

nearest known ligand 0.81

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.81
USP2 O75604 2/20 0.81
ALDH1A1 P00352 2/20 0.81
LMNA P02545 2/20 0.81
HPGD P15428 2/20 0.81
HIF1A Q16665 2/20 0.81
HSD17B10 Q99714 2/20 0.81
CA2 P00918 1/20 0.81
TSHR P16473 1/20 0.81
BLM P54132 1/20 0.81
SLC12A2 P55011 1/20 0.81
NPSR1 Q6W5P4 1/20 0.81
PTGS2 P35354 16/20 0.69
AQP1 P29972 1/20 0.68
CISD1 Q9NZ45 1/20 0.43
SLC6A4 P31645 1/20 0.41

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
SCHEMBL22971474 0.94 KDM4E (0.81) KDM4EUSP2ALDH1A1LMNAHPGD
SCHEMBL11849933 0.94 ALDH1A1 (0.71) KDM4EUSP2ALDH1A1LMNAHPGD
SCHEMBL22971044 0.93 CA2 (0.74) KDM4EUSP2ALDH1A1LMNAHPGD
SCHEMBL2876098 0.93 KDM4E (0.80) KDM4EUSP2ALDH1A1LMNAHPGD
SCHEMBL11787813 0.92 KDM4E (0.78) KDM4EUSP2ALDH1A1LMNAHPGD
SCHEMBL22970927 0.92 CA2 (0.78) KDM4EUSP2ALDH1A1LMNAHPGD
SCHEMBL231501 0.92 KDM4E (0.78) KDM4EUSP2ALDH1A1LMNAHPGD
SCHEMBL230554 0.92 KDM4E (0.84) KDM4EUSP2ALDH1A1LMNAHPGD
SCHEMBL22971372 0.91 CA2 (0.77) KDM4EUSP2ALDH1A1LMNAHPGD
SCHEMBL230395 0.91 CA2 (0.77) KDM4EUSP2ALDH1A1LMNAHPGD

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
CN-112969692-A Bumetanide derivatives for the treatment of hyperhidrosis 兹伦汀公司 2021-06-15 CN disclosed
EP-3774763-A1 BUMETANIDE DERIVATIVES FOR THE THERAPY OF HYPERHIDROSIS ZILENTIN AG (CH) 2021-02-17 EP disclosed
US-20210022978-A1 BUMETANIDE DERIVATIVES FOR THE THERAPY OF HYPERHIDROSIS Zilentin AG (CH) 2021-01-28 US disclosed
US-20210022978-A1 BUMETANIDE DERIVATIVES FOR THE THERAPY OF HYPERHIDROSIS Zilentin AG (CH) 2021-01-28 US disclosed
WO-2019193159-A1 BUMETANIDE DERIVATIVES FOR THE THERAPY OF HYPERHIDROSIS Universität Wien (AT) 2019-10-10 WO disclosed
WO-2014157635-A1 SULFAMOYLBENZENE DERIVATIVE AND DRUG APPLICATION 東レ株式会社 (JP) 2014-10-02 WO disclosed
US-20140066504-A1 ANALOGS AND PRODRUGS OF BUMETANIDE; COMPOSITIONS AND METHODS OF USE Hochman, Daryl W. (US) 2014-03-06 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 (2 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-20140066504-A1 ANALOGS AND PRODRUGS OF BUMETANIDE; COMPOSITIONS AND METHODS OF USE SLC6A1, SLC6A13, KCNC1 KDM4E 1245/4885USP2 3979/4885ALDH1A1 952/4885
US-20210022978-A1 BUMETANIDE DERIVATIVES FOR THE THERAPY OF HYPERHIDROSIS SLC9A1, SLC9A3, SLC5A1 KDM4E 3838/4885USP2 3125/4885ALDH1A1 692/4885

“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.