Dioxane

Dioxane

SCHEMBL5472966

C1COCCO1.Cc1onc(-c2ccccc2)c1-c1ccc(S(=O)(=O)NO)cc1

nearest known ligand 0.88

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 12/20 0.88
MT-CO2 P00403 3/20 0.88
NR4A2 P43354 1/20 0.65
PTGS1 P23219 4/20 0.64
CA12 O43570 1/20 0.64
CA1 P00915 1/20 0.64
CA2 P00918 1/20 0.64
LMNA P02545 1/20 0.64
CA3 P07451 1/20 0.64
ADRB2 P07550 1/20 0.64
ADRB1 P08588 1/20 0.64
CYP3A4 P08684 1/20 0.64
ADORA3 P0DMS8 1/20 0.64
CHRM1 P11229 1/20 0.64
ADRA2B P18089 1/20 0.64
CA4 P22748 1/20 0.64
CA6 P23280 1/20 0.64
SLC6A2 P23975 1/20 0.64
PDE4A P27815 1/20 0.64
ADORA1 P30542 1/20 0.64

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
SCHEMBL5481289 0.94 PTGS2 (1.00) PTGS2MT-CO2NR4A2PTGS1CA12
Water SCHEMBL5477391 0.93 PTGS2 (1.00) PTGS2MT-CO2NR4A2PTGS1CA12
SCHEMBL5472959 0.91 PTGS2 (0.84) PTGS2MT-CO2NR4A2PTGS1CA12
SCHEMBL28922237 0.85 PTGS2 (0.82) PTGS2MT-CO2NR4A2PTGS1CA12
SCHEMBL5073588 0.84 PTGS2 (0.81) PTGS2MT-CO2NR4A2PTGS1CA12
SCHEMBL5071844 0.84 PTGS2 (0.81) PTGS2MT-CO2NR4A2PTGS1CA12
Ethyl Acetate SCHEMBL5483783 0.83 PTGS2 (0.79) PTGS2MT-CO2NR4A2PTGS1CA12
SCHEMBL5071829 0.82 PTGS2 (0.78) PTGS2MT-CO2NR4A2PTGS1CA12
SCHEMBL5071029 0.82 PTGS2 (0.77) PTGS2MT-CO2NR4A2PTGS1CA12
SCHEMBL5069873 0.82 PTGS2 (0.77) PTGS2MT-CO2NR4A2PTGS1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070093539-A1 N-hydroxy-4-(3-pheyl-5-methyl-isoxazole-4-yl)-benzenesulfonate solvates RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 2007-04-26 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-20070093539-A1 N-hydroxy-4-(3-pheyl-5-methyl-isoxazole-4-yl)-benzenesulfonate solvates ADH1A, ADH1C, ADH5 PTGS2 154/4885MT-CO2 1354/4885NR4A2 1224/4885

“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.