SCHEMBL6989501

SCHEMBL6989501

CCCCN(CC(=O)OC)c1ccc(S(=O)(=O)N2CC(NCC(O)COc3ccc(O)cc3)C2)cc1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 19/20 0.58
ADRB1 P08588 13/20 0.58
ADRB2 P07550 7/20 0.58
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 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
SCHEMBL6985805 0.85 ADRB3 (0.79) ADRB3ADRB1ADRB2CA12CA1
SCHEMBL6985800 0.85 ADRB3 (0.79) ADRB3ADRB1ADRB2CA12CA1
SCHEMBL6983313 0.79 ALDH1A1 (0.42) ADRB3ADRB1ADRB2
SCHEMBL6984819 0.78 ADRB3 (0.65) ADRB3ADRB1ADRB2CA12CA1
SCHEMBL6982931 0.76 ADRB3 (0.82) ADRB3ADRB1ADRB2CA12CA1
SCHEMBL6984589 0.72 ADRB3 (1.00) ADRB3ADRB1ADRB2CA12CA1
SCHEMBL6984583 0.72 ADRB3 (1.00) ADRB3ADRB1ADRB2CA12CA1
SCHEMBL6987303 0.71 ADRB3 (0.83) ADRB3ADRB1ADRB2
SCHEMBL6074513 0.71 ADRB1 (0.54) ADRB3ADRB1ADRB2
SCHEMBL7138206 0.69 ADRB3 (0.70) ADRB3ADRB1ADRB2CA12CA1

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 2/4885ADRB2 3/4885
US-20030027797-A1 Cyclylamine sulfonamides as beta-3 adrenergic receptor agonists ADRB3, ADRB1, ADRB2 ADRB3 1/4885ADRB1 2/4885ADRB2 3/4885

“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.