SCHEMBL2883310

SCHEMBL2883310

Nc1cc(C(=O)O)cc(S(N)(=O)=O)c1Nc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.52
▸ ALDH1A1 P00352 4/20 0.52
▸ GAA P10253 3/20 0.52
▸ MAPT P10636 3/20 0.52
▸ HPGD P15428 3/20 0.52
▸ HSD17B10 Q99714 3/20 0.52
▸ THRB P10828 1/20 0.52
▸ CXCR2 P25025 1/20 0.44
▸ CDC25B P30305 3/20 0.43
▸ PTK2B Q14289 1/20 0.42
▸ CA2 P00918 7/20 0.41
▸ CA1 P00915 6/20 0.41
▸ PKM P14618 1/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ NSD2 O96028 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ APEX1 P27695 1/20 0.40
▸ APOBEC3A P31941 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ CASP6 P55212 1/20 0.40

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
SCHEMBL11850140 0.91 CDC25B (0.46) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL11846780 0.89 CDC25B (0.41) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL11850356 0.88 WDR5 (0.44) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL11846678 0.88 GAA (0.56) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL11841970 0.87 AKR1C3 (0.45) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL11842798 0.87 NPSR1 (0.44) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL11846740 0.86 PTK2B (0.56) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL11780958 0.85 CA1 (0.55) KDM4EALDH1A1GAAMAPTCA2
SCHEMBL11850451 0.84 PKM (0.48) KDM4EALDH1A1GAAMAPTTHRB
SCHEMBL11849822 0.84 AKR1C3 (0.52) KDM4EALDH1A1GAAMAPTCA2

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-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-3985777-A Sulphamyl-benzoic acid derivatives LOVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB (DK) 1976-10-12 — — US disclosed
US-3933906-A DIURETIC CIBA-GEIGY CORPORATION (US) 1976-01-20 — — US disclosed
US-3933906-A DIURETIC CIBA-GEIGY CORPORATION (US) 1976-01-20 — — US disclosed
US-3927218-A 3,4-Bisamino-5-sulfamoylbenzoic acids useful as diuretic agents CIBA GEIGY CORP 1975-12-16 — — 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 KDM4E 2228/4885ALDH1A1 889/4885GAA 848/4885
US-20190151263-A1 BUMETANIDE ANALGOS, COMPOSITIONS, AND METHODS OF USE SLC6A1, SLC6A11, SLC6A13 KDM4E 2764/4885ALDH1A1 625/4885GAA 887/4885
US-20120004225-A1 BUMETANIDE, FUROSEMIDE, PIRETANIDE, AZOSEMIDE, AND TORSEMIDE ANALOGS, COMPOSITIONS AND METHODS OF USE ABCG2, ABCB1, TRPV1 KDM4E 3528/4885ALDH1A1 1389/4885GAA 2397/4885
US-20150080350-A1 BUMETANIDE ANALOGS, COMPOSITIONS AND METHODS OF USE SLC6A1, SLC6A13, SLC6A11 KDM4E 3717/4885ALDH1A1 845/4885GAA 1216/4885

“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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