SCHEMBL11853783

SCHEMBL11853783

Nc1cc(C(=O)O)cc(S(N)(=O)=O)c1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC25B P30305 1/20 0.46
▸ PKM P14618 1/20 0.44
▸ HSD17B10 Q99714 4/20 0.42
▸ KDM4E B2RXH2 3/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ HPGD P15428 3/20 0.42
▸ USP2 O75604 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ HIF1A Q16665 2/20 0.42
▸ SLC6A4 P31645 1/20 0.42
▸ CA2 P00918 7/20 0.42
▸ CA1 P00915 6/20 0.42
▸ CA12 O43570 3/20 0.42
▸ CA9 Q16790 3/20 0.42
▸ CA14 Q9ULX7 3/20 0.42
▸ CYP2C9 P11712 2/20 0.42
▸ CA6 P23280 2/20 0.42
▸ CA5A P35218 2/20 0.42
▸ CA7 P43166 2/20 0.42
▸ CA5B Q9Y2D0 2/20 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
SCHEMBL2876081 0.85 KMO (0.49) CDC25BALDH1A1LMNACA2CA1
SCHEMBL11549642 0.84 HPGD (0.53) PKMHSD17B10KDM4EALDH1A1HPGD
SCHEMBL11851310 0.79 POLB (0.48) ALDH1A1LMNACA2CA1CA12
SCHEMBL11547136 0.76 KDM4E (0.65) PKMHSD17B10KDM4EALDH1A1HPGD
SCHEMBL11794834 0.76 CDC25B (0.50) CDC25BPKMHSD17B10KDM4EALDH1A1
SCHEMBL11845184 0.76 CDC25B (0.47) CDC25BPKMHSD17B10KDM4EALDH1A1
SCHEMBL11788983 0.76 CISD1 (0.55) HSD17B10KDM4EALDH1A1HPGDUSP2
Hydrochloric Acid SCHEMBL11540287 0.76 CA2 (0.39) PKMHSD17B10KDM4EALDH1A1HPGD
SCHEMBL11543459 0.76 KDM4E (0.64) HSD17B10KDM4EALDH1A1HPGDUSP2
SCHEMBL2883310 0.75 KDM4E (0.52) CDC25BPKMHSD17B10KDM4EALDH1A1

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 4 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-3985777-A Sulphamyl-benzoic acid derivatives LOVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB (DK) 1976-10-12 — — 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 CDC25B 4865/4885PKM 1638/4885HSD17B10 1264/4885
US-20190151263-A1 BUMETANIDE ANALGOS, COMPOSITIONS, AND METHODS OF USE SLC6A1, SLC6A11, SLC6A13 CDC25B 4860/4885PKM 2396/4885HSD17B10 957/4885

“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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