SCHEMBL5281093

SCHEMBL5281093

NS(=O)(=O)c1cccc(C#CCCO)c1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 15/20 0.61
CA1 P00915 13/20 0.61
CA12 O43570 12/20 0.61
CA9 Q16790 12/20 0.61
CA14 Q9ULX7 2/20 0.54
ALOX5 P09917 1/20 0.51
ASIC3 Q9UHC3 1/20 0.46
CA4 P22748 1/20 0.43
CA7 P43166 1/20 0.42
GLO1 Q04760 1/20 0.41
NOS1 P29475 1/20 0.40

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
SCHEMBL5434012 0.87 CA2 (0.65) CA2CA1CA12CA9CA14
SCHEMBL7190905 0.84 PTGS2 (0.45) CA2CA1CA12CA9ASIC3
SCHEMBL24257972 0.84 CA1 (0.61) CA2CA1CA12CA9CA14
SCHEMBL24257965 0.77 CA2 (0.52) CA2CA1CA12CA9CA14
SCHEMBL3992333 0.76 CA1 (0.48) CA2CA1CA12CA9CA14
SCHEMBL30574457 0.75 MEN1 (0.48) ASIC3
SCHEMBL5425213 0.75 ASIC3 (0.62) CA2CA1CA12CA9CA14
SCHEMBL21647832 0.75 CA12 (0.39) CA2CA1CA12CA9ASIC3
SCHEMBL4802684 0.74 CA1 (0.48) CA2CA1CA12CA9CA14
SCHEMBL13959489 0.73 ASIC3 (0.50) ALOX5ASIC3

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
EP-1497261-B1 PHENETHANOLAMINE DERIVATIVES GLAXO GROUP LTD (GB) 2007-12-19 EP disclosed
US-7271197-B2 Phenethanolamine derivatives GLAXO GROUP LIMITED (GB) 2007-09-18 US disclosed
US-20050256201-A1 Phenethanolamine derivatives GLAXO GROUP LIMITED 2005-11-17 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 (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-20050256201-A1 Phenethanolamine derivatives PNMT, PHOSPHO1, NAPEPLD CA2 2017/4885CA1 4463/4885CA12 3325/4885

“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.