SCHEMBL21436683

SCHEMBL21436683

CCCCNc1cc(CNCCC(F)(F)F)cc(S(N)(=O)=O)c1Oc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 3/20 0.61
▸ KDM4E B2RXH2 1/20 0.61
▸ USP2 O75604 1/20 0.61
▸ ALDH1A1 P00352 1/20 0.61
▸ LMNA P02545 1/20 0.61
▸ HPGD P15428 1/20 0.61
▸ TSHR P16473 1/20 0.61
▸ BLM P54132 1/20 0.61
▸ SLC12A2 P55011 1/20 0.61
▸ HIF1A Q16665 1/20 0.61
▸ NPSR1 Q6W5P4 1/20 0.61
▸ HSD17B10 Q99714 1/20 0.61
▸ AQP1 P29972 1/20 0.53
▸ PTGS2 P35354 16/20 0.52
▸ CA12 O43570 2/20 0.38
▸ CA1 P00915 2/20 0.38
▸ CA3 P07451 2/20 0.38
▸ CA6 P23280 2/20 0.38
▸ CA5A P35218 2/20 0.38
▸ CA7 P43166 2/20 0.38

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
SCHEMBL21436692 0.92 CA2 (0.62) CA2KDM4EUSP2ALDH1A1LMNA
SCHEMBL11371169 0.88 CA2 (0.68) CA2KDM4EUSP2ALDH1A1LMNA
SCHEMBL21436410 0.87 CA2 (0.59) CA2KDM4EUSP2ALDH1A1LMNA
SCHEMBL21454037 0.87 KDM4E (0.61) CA2KDM4EUSP2ALDH1A1LMNA
SCHEMBL21436856 0.86 CA2 (0.60) CA2KDM4EUSP2ALDH1A1LMNA
SCHEMBL22922706 0.86 CA2 (0.62) CA2KDM4EUSP2ALDH1A1LMNA
SCHEMBL11377765 0.85 CA2 (0.69) CA2KDM4EUSP2ALDH1A1LMNA
SCHEMBL21436548 0.85 CA2 (0.61) CA2KDM4EUSP2ALDH1A1LMNA
Hydrochloric Acid SCHEMBL28600290 0.85 CA2 (0.61) CA2KDM4EUSP2ALDH1A1LMNA
SCHEMBL21436432 0.85 CA2 (0.63) CA2KDM4EUSP2ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260132103-A1 Bumetanide Derivatives for the Therapy of Stroke and Other Neurological Diseases/Disorders Involving NKCCs UNIV OF PITTSBURGH OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2026-05-14 — — US disclosed
CN-112969692-A Bumetanide derivatives for the treatment of hyperhidrosis 兹伦汀公司 2021-06-15 — — CN disclosed
US-20210163406-A1 Bumetanide Derivatives for the Therapy of Stroke and Other Neurological Diseases/Disorders Involving NKCCs Universität Wien (AT) 2021-06-03 — — US disclosed
US-20210163406-A1 Bumetanide Derivatives for the Therapy of Stroke and Other Neurological Diseases/Disorders Involving NKCCs Universität Wien (AT) 2021-06-03 — — US disclosed
US-20210022978-A1 BUMETANIDE DERIVATIVES FOR THE THERAPY OF HYPERHIDROSIS Zilentin AG (CH) 2021-01-28 — — US disclosed
US-20210022978-A1 BUMETANIDE DERIVATIVES FOR THE THERAPY OF HYPERHIDROSIS Zilentin AG (CH) 2021-01-28 — — US disclosed
WO-2019193161-A1 BUMETANIDE DERIVATIVES FOR THE THERAPY OF STROKE AND OTHER NEUROLOGICAL DISEASES/DISORDERS INVOLVING NKCCS Universität Wien (AT) 2019-10-10 — — WO disclosed
WO-2019193161-A1 BUMETANIDE DERIVATIVES FOR THE THERAPY OF STROKE AND OTHER NEUROLOGICAL DISEASES/DISORDERS INVOLVING NKCCS Universität Wien (AT) 2019-10-10 — — WO 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-20210163406-A1 Bumetanide Derivatives for the Therapy of Stroke and Other Neurological Diseases/Disorders Involving NKCCs KCNC1, SLC6A1, KCNJ11 CA2 559/4885KDM4E 4012/4885USP2 4682/4885
US-20210022978-A1 BUMETANIDE DERIVATIVES FOR THE THERAPY OF HYPERHIDROSIS SLC9A1, SLC9A3, SLC5A1 CA2 393/4885KDM4E 3838/4885USP2 3125/4885
US-20260132103-A1 Bumetanide Derivatives for the Therapy of Stroke and Other Neurological Diseases/Disorders Involving NKCCs CLIC1, SLC6A1, KCNC1 CA2 349/4885KDM4E 4138/4885USP2 4587/4885

“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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