SCHEMBL6987303

SCHEMBL6987303

CCCCCCNC(=O)Nc1ccc(S(=O)(=O)N2CCC(NC[C@H](O)COc3ccc(O)cc3)CC2)cc1

nearest known ligand 0.83

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 19/20 0.83
ADRB1 P08588 13/20 0.83
ADRB2 P07550 7/20 0.83
KDM4E B2RXH2 1/20 0.60
MEN1 O00255 1/20 0.60
CYP3A4 P08684 1/20 0.60
MAPT P10636 1/20 0.60
ALOX15 P16050 1/20 0.60
TSHR P16473 1/20 0.60
BLM P54132 1/20 0.60
KMT2A Q03164 1/20 0.60
GPR65 Q8IYL9 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
GHSR Q92847 1/20 0.58

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
SCHEMBL7555241 0.91 ADRB3 (1.00) ADRB3ADRB1ADRB2KDM4EMEN1
SCHEMBL7139311 0.91 ADRB3 (1.00) ADRB3ADRB1ADRB2KDM4EMEN1
SCHEMBL7561184 0.91 ADRB3 (1.00) ADRB3ADRB1ADRB2KDM4EMEN1
SCHEMBL7139466 0.91 ADRB3 (1.00) ADRB3ADRB1ADRB2KDM4EMEN1
SCHEMBL7090768 0.89 ADRB3 (0.79) ADRB3ADRB1ADRB2KDM4EMEN1
SCHEMBL6982931 0.86 ADRB3 (0.82) ADRB3ADRB1ADRB2TSHR
SCHEMBL7094069 0.82 ADRB3 (0.69) ADRB3ADRB1ADRB2KDM4EMEN1
SCHEMBL7130731 0.82 ADRB3 (0.79) ADRB3ADRB1ADRB2KDM4EMEN1
SCHEMBL6989496 0.82 ADRB3 (1.00) ADRB3ADRB1ADRB2MEN1ALOX15
SCHEMBL7091803 0.82 ADRB3 (1.00) ADRB3ADRB1ADRB2MEN1ALOX15

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
EP-1328512-A2 CYCLYLAMINE SULFONAMIDES AS BETA-3 ADRENERGIC RECEPTOR AGONISTS Wyeth (US) 2003-07-23 EP claimed
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 claimed
US-20020022605-A1 Cyclamine sulfonamides as beta-3 adrenergic receptor agonists AMERICAN HOME PRODUCTS CORPORATION (US) 2002-02-21 US claimed
WO-2002006221-A2 CYCLYLAMINE SULFONAMIDES AS BETA-3 ADRENERGIC RECEPTOR AGONISTS WYETH (US) 2002-01-24 WO claimed
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.