SCHEMBL6986206

SCHEMBL6986206

CCCCOc1ccc(S(=O)(=O)N2CC(N(Cc3ccccc3)CC(O)COc3cccc4[nH]c5ccccc5c34)C2)cc1

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 16/20 0.67
ADRB1 P08588 7/20 0.55
TLR4 O00206 2/20 0.47
ADRB2 P07550 7/20 0.46
DNM1 Q05193 1/20 0.41

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
SCHEMBL6985948 0.94 ADRB3 (0.69) ADRB3ADRB1TLR4ADRB2
SCHEMBL6074935 0.86 ADRB3 (0.55) ADRB3ADRB1TLR4ADRB2DNM1
SCHEMBL6986334 0.83 ADRB3 (0.86) ADRB3ADRB1TLR4ADRB2DNM1
SCHEMBL6980970 0.80 ADRB3 (1.00) ADRB3ADRB1ADRB2DNM1
SCHEMBL7226984 0.80 ADRB3 (0.60) ADRB3ADRB1TLR4ADRB2DNM1
SCHEMBL6982327 0.79 ADRB3 (0.91) ADRB3ADRB1ADRB2DNM1
SCHEMBL7138803 0.79 ADRB3 (0.83) ADRB3ADRB1TLR4ADRB2
SCHEMBL7543870 0.77 ADRB3 (0.60) ADRB3ADRB1TLR4ADRB2DNM1
SCHEMBL6074074 0.76 ADRB3 (0.47) ADRB3ADRB1TLR4ADRB2DNM1
SCHEMBL6075016 0.76 ADRB3 (0.44) ADRB3ADRB1TLR4ADRB2DNM1

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-6649603-B2 For therapy of metabolic disorders related to insulin resistance or hyperglycemia WYETH 2003-11-18 US disclosed
EP-1328512-A2 CYCLYLAMINE SULFONAMIDES AS BETA-3 ADRENERGIC RECEPTOR AGONISTS Wyeth (US) 2003-07-23 EP disclosed
US-20030027797-A1 Cyclylamine sulfonamides as beta-3 adrenergic receptor agonists WYETH (US) 2003-02-06 US disclosed
US-6498170-B2 4-((2S)-3-(1-(4-BUTOXY-BENZENESULFONYL)-AZETIDIN-3-YLAMINO)-2 -HYDROXY- PROPOXY)-PHENOL FOR EXAMPLE; HYPOGLYCEMIC AGENT; INCREASING LEAN MEAT TO FAT RATIO IN MAMMALS WYETH 2002-12-24 US disclosed
US-20020022605-A1 Cyclamine sulfonamides as beta-3 adrenergic receptor agonists AMERICAN HOME PRODUCTS CORPORATION (US) 2002-02-21 US disclosed
WO-2002006221-A2 CYCLYLAMINE SULFONAMIDES 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-20020022605-A1 Cyclamine sulfonamides as beta-3 adrenergic receptor agonists ADRB3, ADRB1, ADRB2 ADRB3 1/4885ADRB1 2/4885TLR4 1278/4885
US-20030027797-A1 Cyclylamine sulfonamides as beta-3 adrenergic receptor agonists ADRB3, ADRB1, ADRB2 ADRB3 1/4885ADRB1 2/4885TLR4 951/4885

“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.