SCHEMBL11549637

SCHEMBL11549637

COC(=O)c1cc(N)c(Sc2ccccc2)c(S(N)(=O)=O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.50
▸ ALDH1A1 P00352 5/20 0.50
▸ HPGD P15428 5/20 0.50
▸ GAA P10253 2/20 0.50
▸ PKM P14618 2/20 0.50
▸ CA1 P00915 6/20 0.46
▸ CA2 P00918 6/20 0.46
▸ CA9 Q16790 6/20 0.46
▸ CA5A P35218 3/20 0.46
▸ MAPT P10636 4/20 0.44
▸ LMNA P02545 2/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.43
▸ CA12 O43570 5/20 0.42
▸ CA3 P07451 4/20 0.42
▸ CA4 P22748 4/20 0.42
▸ CA6 P23280 4/20 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
SCHEMBL2880825 0.85 CA2 (0.44) KDM4EALDH1A1HPGDPKMCA1
SCHEMBL11396073 0.85 FBP1 (0.47) KDM4EALDH1A1HPGDGAAPKM
SCHEMBL11849523 0.83 CNR2 (0.46) KDM4EALDH1A1CA1CA2CA9
SCHEMBL2883320 0.82 MAPT (0.49) ALDH1A1HPGDGAACA1CA2
SCHEMBL22922726 0.81 KDM4E (0.42) KDM4EALDH1A1HPGDGAAPKM
SCHEMBL11512332 0.81 KDM4E (0.42) KDM4EALDH1A1HPGDGAAPKM
SCHEMBL10281398 0.81 ALDH1A1 (0.51) KDM4EALDH1A1HPGDGAAPKM
SCHEMBL2880855 0.80 CA1 (0.39) KDM4EALDH1A1HPGDGAAPKM
SCHEMBL11787976 0.80 CA2 (0.43) KDM4EALDH1A1HPGDCA1CA2
SCHEMBL9436751 0.80 KDM4E (0.52) KDM4EALDH1A1HPGDGAAPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-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

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-20170246131-A1 BUMETANIDE ANALOGS, COMPOSITIONS, AND METHODS OF USE SLC6A1, SLC6A13, SLC6A11 KDM4E 2228/4885ALDH1A1 889/4885HPGD 1373/4885
US-20150080350-A1 BUMETANIDE ANALOGS, COMPOSITIONS AND METHODS OF USE SLC6A1, SLC6A13, SLC6A11 KDM4E 3717/4885ALDH1A1 845/4885HPGD 1748/4885

“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.

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