SCHEMBL6864663

SCHEMBL6864663

O=C1N=C(N2CCCCC2)S/C1=C/c1ccc(N2CCC(NC[C@H](O)COc3ccc(O)cc3)CC2)cc1

nearest known ligand 0.87

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 11/20 0.87
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
ALOX5 P09917 1/20 0.53
GRIN1 Q05586 1/20 0.52
GRIN2B Q13224 1/20 0.52
DCTPP1 Q9H773 1/20 0.51
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
ADRB2 P07550 3/20 0.49
ADRB1 P08588 3/20 0.49

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
SCHEMBL6864669 1.00 ADRB3 (0.87) ADRB3MEN1KMT2AALOX5GRIN1
SCHEMBL6864707 0.93 ADRB3 (0.76) ADRB3MEN1KMT2AGRIN1GRIN2B
SCHEMBL6864709 0.93 ADRB3 (0.76) ADRB3MEN1KMT2AGRIN1GRIN2B
SCHEMBL6870860 0.92 ADRB3 (0.75) ADRB3MEN1KMT2AALOX5GRIN1
SCHEMBL6870865 0.92 ADRB3 (0.75) ADRB3MEN1KMT2AALOX5GRIN1
SCHEMBL6871996 0.86 ADRB3 (1.00) ADRB3MEN1KMT2AALOX5ADRB2
SCHEMBL6871989 0.86 ADRB3 (1.00) ADRB3MEN1KMT2AALOX5ADRB2
SCHEMBL6871981 0.86 ADRB3 (1.00) ADRB3MEN1KMT2AALOX5ADRB2
SCHEMBL6876548 0.86 ADRB3 (0.87) ADRB3MEN1KMT2ADCTPP1ADRB2
SCHEMBL6876544 0.86 ADRB3 (0.87) ADRB3MEN1KMT2ADCTPP1ADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6821991-B2 FOR THERAPY OF METABOLIC DISORDERS RELATED TO INSULIN RESISTANCE OR HYPERGLYCEMIA (ASSOCIATED WITH OBESITY OR GLUCOSE INTOLERANCE), ATHEROSCLEROSIS, GASTROINTESTINAL DISORDERS, NEUROGENETIC INFLAMMATION, FREQUENT URINATION WYETH 2004-11-23 US claimed
US-20030176412-A1 2-substituted thiazolidinones as beta-3 adrenergic receptor agonists WYETH 2003-09-18 US claimed
US-20020169325-A1 2-substituted thiazolidinones as beta-3 adrenergic receptor agonists WYETH 2002-11-14 US claimed
WO-2002006281-A1 2-SUBSTITUTED THIAZOLIDINONES AS BETA-3 ADRENERGIC RECEPTOR AGONISTS WYETH (US) 2002-01-24 WO claimed
US-6821991-B2 FOR THERAPY OF METABOLIC DISORDERS RELATED TO INSULIN RESISTANCE OR HYPERGLYCEMIA (ASSOCIATED WITH OBESITY OR GLUCOSE INTOLERANCE), ATHEROSCLEROSIS, GASTROINTESTINAL DISORDERS, NEUROGENETIC INFLAMMATION, FREQUENT URINATION WYETH 2004-11-23 US disclosed
US-20030176412-A1 2-substituted thiazolidinones as beta-3 adrenergic receptor agonists WYETH 2003-09-18 US disclosed
US-6583140-B2 Useful in treating or inhibiting metabolic disorders related to insulin resistance or hyperglycemia, atherosclerosis, gastrointestinal disorders WYETH 2003-06-24 US disclosed
US-20020169325-A1 2-substituted thiazolidinones as beta-3 adrenergic receptor agonists WYETH 2002-11-14 US disclosed
US-6410734-B1 INSULIN RESISTANCE; HYPOGLYCEMIC AGENTS; ANTICHOLESTEROL AGENTS; GASTROINTESTINAL DISORDERS WYETH 2002-06-25 US disclosed
WO-2002006281-A1 2-SUBSTITUTED THIAZOLIDINONES 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-20020169325-A1 2-substituted thiazolidinones as beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 ADRB3 2/4885MEN1 3320/4885KMT2A 3512/4885
US-20030176412-A1 2-substituted thiazolidinones as beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 ADRB3 2/4885MEN1 3320/4885KMT2A 3512/4885

“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.