SCHEMBL6074458

SCHEMBL6074458

NC[C@H](O)COc1ccc(O)c(NS(=O)(=O)c2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.52
GFER P55789 1/20 0.52
APOBEC3G Q9HC16 1/20 0.52
KMT2A Q03164 4/20 0.46
HTT P42858 3/20 0.46
MEN1 O00255 3/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ADRB3 P13945 7/20 0.46
ADRB1 P08588 4/20 0.46
ADRB2 P07550 3/20 0.46
MCL1 Q07820 1/20 0.44
BCL2A1 Q16548 1/20 0.44
ERBB2 P04626 1/20 0.42
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
CA1 P00915 1/20 0.42

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
SCHEMBL6074462 1.00 GAA (0.52) GAAGFERAPOBEC3GKMT2AHTT
SCHEMBL6074369 1.00 GAA (0.52) GAAGFERAPOBEC3GKMT2AHTT
SCHEMBL6074868 0.83 ADRB3 (0.63) KMT2AADRB3ADRB2SMN1; SMN2
SCHEMBL6074867 0.83 ADRB3 (0.63) KMT2AADRB3ADRB2SMN1; SMN2
SCHEMBL7611161 0.81 ADRB3 (0.56) GAAGFERAPOBEC3GADRB3ADRB1
SCHEMBL7042588 0.80 ADRB3 (0.50) GAAGFERAPOBEC3GKMT2AHTT
SCHEMBL7246654 0.80 ADRB3 (0.51) GAAGFERAPOBEC3GKMT2AMEN1
SCHEMBL7608477 0.80 ADRB3 (0.59) GAAGFERKMT2AMEN1ALDH1A1
SCHEMBL7042585 0.80 ADRB3 (0.51) ADRB3ADRB1ADRB2CA1CA2
SCHEMBL7610428 0.79 ADRB3 (0.58) KMT2AMEN1ADRB3ADRB1ADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7022716-B2 Cyclic amine phenyl beta-3 adrenergic receptor agonists WYETH (US) 2006-04-04 US disclosed
US-20030144326-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists WYETH 2003-07-31 US disclosed
EP-1301482-A1 CYCLIC AMINE PHENYL BETA-3 ADRENERGIC RECEPTOR AGONISTS Wyeth (US) 2003-04-16 EP disclosed
US-6525202-B2 E.g., substituted (4-amino-5-hydroxyphenyl)-oxy-)piperidinyl thiazolidin-2,4-dione; antidiabetic agents; atherosclerosis, gastrointestinal, metabolic disorders, glaucoma, neurogenetic inflammation, ocular hypertension and frequent urination WYETH 2003-02-25 US disclosed
US-20020028835-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists WYETH 2002-03-07 US disclosed
WO-2002006232-A1 CYCLIC AMINE PHENYL BETA-3 ADRENERGIC RECEPTOR AGONISTS WYETH (US) 2002-01-24 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 (2 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-20030144326-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 GAA 1992/4885GFER 3584/4885APOBEC3G 4311/4885
US-20020028835-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 GAA 1992/4885GFER 3584/4885APOBEC3G 4311/4885

“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.