SCHEMBL6800666

SCHEMBL6800666

COc1ccc(NS(=O)(=O)c2ccc(N3CCC(NC[C@H](O)COc4ccc(OCc5ccccc5)cc4)CC3)cc2)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 9/20 0.49
ADRB1 P08588 6/20 0.49
GHSR Q92847 1/20 0.49
LMNA P02545 2/20 0.46
AR P10275 3/20 0.44
TRIM24 O15164 1/20 0.44
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
MITF O75030 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ADRB2 P07550 4/20 0.43
TNF P01375 1/20 0.43
NOD2 Q9HC29 1/20 0.43
NOD1 Q9Y239 1/20 0.43
PDE4A P27815 2/20 0.43

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
SCHEMBL6801052 0.92 ADRB3 (0.59) ADRB3ADRB1ADRB2
SCHEMBL6073971 0.89 ADRB3 (0.51) ADRB3ADRB1LMNAALDH1A1MAPT
SCHEMBL6073869 0.87 ADRB3 (0.59) ADRB3ADRB1ALDH1A1MAPTMEN1
SCHEMBL6074347 0.81 ADRB3 (0.52) ADRB3ADRB1LMNAALDH1A1MAPT
SCHEMBL7160947 0.81 ADRB3 (0.72) ADRB3ADRB1GHSRLMNAMAPT
SCHEMBL6807092 0.81 ADRB3 (0.72) ADRB3ADRB1GHSRLMNAMAPT
SCHEMBL6799204 0.80 ADRB3 (0.72) ADRB3ADRB1LMNAMEN1KMT2A
SCHEMBL6073967 0.80 LMNA (0.57) ADRB3ADRB1LMNAALDH1A1MAPT
SCHEMBL6074795 0.80 ADRB3 (0.56) ADRB3ADRB1ADRB2
SCHEMBL6074320 0.79 LMNA (0.58) ADRB3ADRB1LMNAALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6444685-B1 THERAPY FOR METABOLISM DISEASES; DIETETICS; ANTIDIABETIC AGENTS WYETH 2002-09-03 US claimed
WO-2002006274-A1 N-(4-SULFONYLARYL)CYCLYLAMINE-2-HYDROXYETHYLAMINES AS BETA-3 ADRENERGIC RECEPTOR AGONISTS WYETH (US) 2002-01-24 WO claimed
US-6743787-B2 FOR THERAPY OF METABOLIC DISORDERS MEDIATED BY INSULIN RESISTANCE OR HYPERGLYCEMIA IN A MAMMAL WYETH 2004-06-01 US disclosed
US-20030027795-A1 N-(4-sulfonylaryl)cyclylamine-2-hydroxyethylamines as beta-3 adrenergic receptor agonists WYETH 2003-02-06 US disclosed
US-6444685-B1 THERAPY FOR METABOLISM DISEASES; DIETETICS; ANTIDIABETIC AGENTS WYETH 2002-09-03 US disclosed
US-20020028797-A1 N-(4-sulfonylaryl)Cyclylamine 2-hydroxyethylamines as beta-3 adrenergic receptor agonists AMERICAN HOME PRODUCTS CORPORATION 2002-03-07 US disclosed
WO-2002006274-A1 N-(4-SULFONYLARYL)CYCLYLAMINE-2-HYDROXYETHYLAMINES AS 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-20030027795-A1 N-(4-sulfonylaryl)cyclylamine-2-hydroxyethylamines as beta-3 adrenergic receptor agonists ADRB3, ADRB1, ADRB2 ADRB3 1/4885ADRB1 2/4885GHSR 41/4885
US-20020028797-A1 N-(4-sulfonylaryl)Cyclylamine 2-hydroxyethylamines as beta-3 adrenergic receptor agonists ADRB3, ADRB1, ADRB2 ADRB3 1/4885ADRB1 2/4885GHSR 38/4885

“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.