Sugi Predict

Sugi Predict / Compounds / SCHEMBL574020

SCHEMBL574020

SCHEMBL574020

Nc1cc(C(=O)O)cc(S(N)(=O)=O)c1Oc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 3/20 0.64
▸ KDM4E B2RXH2 2/20 0.64
▸ USP2 O75604 2/20 0.64
▸ ALDH1A1 P00352 2/20 0.64
▸ LMNA P02545 2/20 0.64
▸ HPGD P15428 2/20 0.64
▸ HIF1A Q16665 2/20 0.64
▸ SLC6A4 P31645 1/20 0.64
▸ CA2 P00918 5/20 0.59
▸ TSHR P16473 1/20 0.59
▸ BLM P54132 1/20 0.59
▸ SLC12A2 P55011 1/20 0.59
▸ NPSR1 Q6W5P4 1/20 0.59
▸ PKM P14618 1/20 0.44
▸ AKR1C3 P42330 1/20 0.44
▸ CA1 P00915 4/20 0.43
▸ CA12 O43570 3/20 0.43
▸ CA7 P43166 2/20 0.43
▸ TTR P02766 2/20 0.43
▸ CA13 Q8N1Q1 1/20 0.43

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
Hydrochloric Acid SCHEMBL4751053 0.99 HSD17B10 (0.62) HSD17B10KDM4EUSP2ALDH1A1LMNA
SCHEMBL11843134 0.90 ALDH1A1 (0.53) HSD17B10KDM4EUSP2ALDH1A1LMNA
SCHEMBL21436362 0.88 HPGD (0.51) HSD17B10KDM4EUSP2ALDH1A1LMNA
SCHEMBL27787764 0.88 KDM4E (0.51) HSD17B10KDM4EUSP2ALDH1A1LMNA
SCHEMBL11842237 0.88 PKM (0.51) HSD17B10KDM4EUSP2ALDH1A1LMNA
SCHEMBL11849957 0.87 KDM4E (0.51) HSD17B10KDM4EUSP2ALDH1A1LMNA
SCHEMBL11844627 0.87 NR4A2 (0.52) HSD17B10KDM4EUSP2ALDH1A1LMNA
SCHEMBL2875469 0.87 HPGD (0.52) HSD17B10KDM4EUSP2ALDH1A1LMNA
SCHEMBL2741893 0.84 KDM4E (0.62) HSD17B10KDM4EUSP2ALDH1A1LMNA
SCHEMBL11843308 0.84 KDM4E (0.48) HSD17B10KDM4EUSP2ALDH1A1LMNA

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113735744-A Synthesis method of bumetanide intermediate 南京卓康医药科技有限公司 2021-12-03 — — CN claimed
CN-101591276-B Method for preparing bumetanide Suzhou lixin pharmaceutical co ltd 2012-07-04 — — CN claimed
CN-117567326-A Preparation method of bumetanide 山东诺明康药物研究院有限公司 2024-02-20 — — CN disclosed
CN-113735744-A Synthesis method of bumetanide intermediate 南京卓康医药科技有限公司 2021-12-03 — — CN disclosed
CN-113735744-A Synthesis method of bumetanide intermediate 南京卓康医药科技有限公司 2021-12-03 — — CN disclosed
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-20140128469-A1 DEUTERATED N-BUTYL BUMETANIDE CONCERT PHARMACEUTICALS INC. (US) 2014-05-08 — — US disclosed
US-20140128469-A1 DEUTERATED N-BUTYL BUMETANIDE CONCERT PHARMACEUTICALS INC. (US) 2014-05-08 — — US disclosed
US-4288449-A DIURETICS BASF AKTIENGESELLSCHAFT (DE) 1981-09-08 — — US disclosed
US-4208535-A DIURETICS HOFFMANN-LA ROCHE INC. (US) 1980-06-17 — — US disclosed
EP-0008361-A1 Halogen-substituted thiophene derivatives and method for their preparation BASF Aktiengesellschaft (DE) 1980-03-05 — — EP disclosed
US-4176190-A Diuretic and saliuretic sulphamoylbenzoic acids CIBA-GEIGY CORPORATION (US) 1979-11-27 — — 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-4118587-A DIURETICS HOFFMANN-LA ROCHE INC. (US) 1978-10-03 — — US disclosed
US-4111953-A DIURETICS HOECHST AKTIENGESELLSCHAFT (DE) 1978-09-05 — — US disclosed
US-3991097-A BORON HYDRIDE OR METAL BOROHYDRIDES AS REDUCING AGENT, LEWIS ACID HOECHST AKTIENGESELLSCHAFT (DT) 1976-11-09 — — 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 (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-20140128469-A1 DEUTERATED N-BUTYL BUMETANIDE ABCB11, SLC10A1, CYP11B1 HSD17B10 135/4885KDM4E 1517/4885USP2 3664/4885
US-20170246131-A1 BUMETANIDE ANALOGS, COMPOSITIONS, AND METHODS OF USE SLC6A1, SLC6A13, SLC6A11 HSD17B10 1264/4885KDM4E 2228/4885USP2 3353/4885
US-20190151263-A1 BUMETANIDE ANALGOS, COMPOSITIONS, AND METHODS OF USE SLC6A1, SLC6A11, SLC6A13 HSD17B10 957/4885KDM4E 2764/4885USP2 3646/4885
US-20150080350-A1 BUMETANIDE ANALOGS, COMPOSITIONS AND METHODS OF USE SLC6A1, SLC6A13, SLC6A11 HSD17B10 2879/4885KDM4E 3717/4885USP2 4533/4885

“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.