SCHEMBL21453069

SCHEMBL21453069

NS(=O)(=O)c1ccc2c(c1)CCN(CC(F)(F)F)C2

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 7/20 0.49
CA2 P00918 7/20 0.49
CA7 P43166 6/20 0.49
CA14 Q9ULX7 5/20 0.49
CA12 O43570 3/20 0.49
CA9 Q16790 4/20 0.48
PNMT P11086 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
MOGAT2 Q3SYC2 1/20 0.40
PRMT5 O14744 2/20 0.40
WDR77 Q9BQA1 2/20 0.40
DRD2 P14416 1/20 0.40
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39

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
SCHEMBL21436372 0.95 CA1 (0.49) CA1CA2CA7CA14CA12
SCHEMBL18491763 0.79 DRD2 (0.47) KDM4EADRA2AADRA2BDRD2ESR1
SCHEMBL23929169 0.77 DRD2 (0.48) CA2CA9DRD2
SCHEMBL3172431 0.77 DRD4 (0.54) CA1CA2CA7CA14CA12
Hydrochloric Acid SCHEMBL11448686 0.77 CA1 (0.54) CA1CA2CA7CA14CA12
Hydrochloric Acid SCHEMBL11456735 0.77 CA1 (0.54) CA1CA2CA7CA14CA12
SCHEMBL23395332 0.76 MEN1 (0.50) PRMT5WDR77DRD2ESR1ESR2
SCHEMBL21201480 0.76 CARM1 (0.51) PRMT5WDR77DRD2
SCHEMBL23395349 0.76 ESR2 (0.55) CA9PRMT5DRD2ESR1ESR2
SCHEMBL16389169 0.76 DRD2 (0.41) PRMT5DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112969692-A Bumetanide derivatives for the treatment of hyperhidrosis 兹伦汀公司 2021-06-15 CN disclosed
US-20210022978-A1 BUMETANIDE DERIVATIVES FOR THE THERAPY OF HYPERHIDROSIS Zilentin AG (CH) 2021-01-28 US disclosed
WO-2019193159-A1 BUMETANIDE DERIVATIVES FOR THE THERAPY OF HYPERHIDROSIS 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 (1 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-20210022978-A1 BUMETANIDE DERIVATIVES FOR THE THERAPY OF HYPERHIDROSIS SLC9A1, SLC9A3, SLC5A1 CA1 3002/4885CA2 393/4885CA7 980/4885

“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.