SCHEMBL2880855

SCHEMBL2880855

COC(=O)c1cc(N2C(=O)CCC2=O)c(Sc2ccccc2)c(S(N)(=O)=O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 6/20 0.39
▸ CA2 P00918 6/20 0.39
▸ CA9 Q16790 6/20 0.39
▸ CA5A P35218 3/20 0.39
▸ PABPC1 P11940 1/20 0.38
▸ EIF4H Q15056 1/20 0.38
▸ CA4 P22748 5/20 0.37
▸ CA12 O43570 4/20 0.37
▸ CA3 P07451 4/20 0.37
▸ CA6 P23280 4/20 0.37
▸ CA7 P43166 4/20 0.37
▸ CA13 Q8N1Q1 4/20 0.37
▸ CA14 Q9ULX7 4/20 0.37
▸ CA5B Q9Y2D0 4/20 0.37
▸ ACLY P53396 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ USP2 O75604 1/20 0.36
▸ LMNA P02545 1/20 0.36

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
SCHEMBL13284094 0.93 ACLY (0.36) CA1CA2CA9CA5APABPC1
SCHEMBL10281398 0.84 ALDH1A1 (0.51) CA1CA2CA9CA5APABPC1
SCHEMBL11640624 0.84 TUBB4A (0.34) PABPC1EIF4HACLYALDH1A1KDM4E
SCHEMBL11540286 0.83 PABPC1 (0.36) PABPC1EIF4HACLYALDH1A1KDM4E
SCHEMBL11543053 0.80 ALDH1A1 (0.56) CA1CA2CA9CA5AACLY
SCHEMBL11549637 0.80 KDM4E (0.50) CA1CA2CA9CA5APABPC1
SCHEMBL16577895 0.79 PABPC1 (0.38) PABPC1EIF4HALDH1A1KDM4EHPGD
SCHEMBL11546060 0.78 L3MBTL1 (0.43) CA1CA2CA9CA5ACA4
SCHEMBL11543213 0.76 ALDH1A1 (0.57) CA1CA2CA9CA5AACLY
SCHEMBL2883320 0.75 MAPT (0.49) CA1CA2CA9CA5ACA12

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
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-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 (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-20170246131-A1 BUMETANIDE ANALOGS, COMPOSITIONS, AND METHODS OF USE SLC6A1, SLC6A13, SLC6A11 CA1 1022/4885CA2 471/4885CA9 710/4885
US-20120004225-A1 BUMETANIDE, FUROSEMIDE, PIRETANIDE, AZOSEMIDE, AND TORSEMIDE ANALOGS, COMPOSITIONS AND METHODS OF USE ABCG2, ABCB1, TRPV1 CA1 1755/4885CA2 1572/4885CA9 1396/4885
US-20150080350-A1 BUMETANIDE ANALOGS, COMPOSITIONS AND METHODS OF USE SLC6A1, SLC6A13, SLC6A11 CA1 1762/4885CA2 1422/4885CA9 1040/4885

“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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