SCHEMBL6986334

SCHEMBL6986334

CCCCOc1ccc(S(=O)(=O)N2CC(NCC(O)COc3cccc4[nH]c5ccccc5c34)C2)cc1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 17/20 0.86
ADRB1 P08588 4/20 0.72
ADRB2 P07550 5/20 0.56
DNM1 Q05193 2/20 0.50
DRD2 P14416 3/20 0.47
KDM4E B2RXH2 1/20 0.47
TLR4 O00206 1/20 0.47
SLC22A2 O15244 1/20 0.47
SLC22A1 O15245 1/20 0.47
MLNR O43193 1/20 0.47
NR1I2 O75469 1/20 0.47
KCNK2 O95069 1/20 0.47
ABCB11 O95342 1/20 0.47
APP P05067 1/20 0.47
ABCB1 P08183 1/20 0.47
HTR1A P08908 1/20 0.47
ADRA2A P08913 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL6982327 0.94 ADRB3 (0.91) ADRB3ADRB1ADRB2DNM1
SCHEMBL6980970 0.92 ADRB3 (1.00) ADRB3ADRB1ADRB2DNM1
SCHEMBL7138803 0.88 ADRB3 (0.83) ADRB3ADRB1ADRB2DRD2KDM4E
SCHEMBL6074200 0.85 ADRB3 (0.68) ADRB3ADRB1ADRB2DNM1DRD2
SCHEMBL6983938 0.83 ADRB3 (1.00) ADRB3ADRB1ADRB2DNM1DRD2
SCHEMBL7594941 0.83 ADRB3 (1.00) ADRB3ADRB1ADRB2DNM1DRD2
SCHEMBL6986206 0.83 ADRB3 (0.67) ADRB3ADRB1ADRB2DNM1TLR4
SCHEMBL6074218 0.81 ADRB3 (0.75) ADRB3ADRB1ADRB2DNM1TLR4
SCHEMBL6075243 0.81 ADRB3 (0.75) ADRB3ADRB1ADRB2DNM1TLR4
SCHEMBL6985805 0.80 ADRB3 (0.79) ADRB3ADRB1ADRB2MAPK1

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 11 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 claimed
EP-1328512-A2 CYCLYLAMINE SULFONAMIDES AS BETA-3 ADRENERGIC RECEPTOR AGONISTS Wyeth (US) 2003-07-23 EP claimed
US-20030027797-A1 Cyclylamine sulfonamides as beta-3 adrenergic receptor agonists WYETH (US) 2003-02-06 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.