SCHEMBL6986483

SCHEMBL6986483

CC[Si](CC)(CC)O[C@@H](CNCc1ccccc1)c1ccc(OCc2ccccc2)c(NS(C)(=O)=O)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 7/20 0.48
CYP19A1 P11511 3/20 0.42
TRPV1 Q8NER1 3/20 0.42
PTPN1 P18031 1/20 0.40
DRD2 P14416 2/20 0.40
DRD3 P35462 2/20 0.40
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
ESRRA P11474 1/20 0.39
DRD4 P21917 1/20 0.39
F2 P00734 1/20 0.39
F10 P00742 1/20 0.39
PRSS1 P07477 1/20 0.39
F7 P08709 1/20 0.39

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
SCHEMBL4817546 0.87 CYP19A1 (0.44) ADRB3CYP19A1TRPV1PTPN1PDE4A
SCHEMBL5483348 0.87 CYP19A1 (0.44) ADRB3CYP19A1TRPV1PTPN1PDE4A
SCHEMBL6479480 0.87 CYP19A1 (0.44) ADRB3CYP19A1TRPV1PTPN1PDE4A
SCHEMBL7605339 0.87 CYP19A1 (0.44) ADRB3CYP19A1TRPV1PTPN1PDE4A
SCHEMBL7605348 0.87 CYP19A1 (0.44) ADRB3CYP19A1TRPV1PTPN1PDE4A
SCHEMBL7113237 0.87 ADRB3 (0.45) ADRB3CYP19A1TRPV1
SCHEMBL7040215 0.83 ADRB3 (0.61) ADRB3
SCHEMBL7040219 0.83 ADRB3 (0.61) ADRB3
SCHEMBL7038384 0.83 ADRB3 (0.60) ADRB3
SCHEMBL7036245 0.82 ADRB3 (0.42) ADRB3TRPV1PDE4APDE4BPDE4C

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 1/4885CYP19A1 1435/4885TRPV1 577/4885
US-20030027797-A1 Cyclylamine sulfonamides as beta-3 adrenergic receptor agonists ADRB3, ADRB1, ADRB2 ADRB3 1/4885CYP19A1 1227/4885TRPV1 733/4885

“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.