SCHEMBL7120397

SCHEMBL7120397

CC(C)(C)OC(=O)O[C@H](COc1ccccc1)CN(CCc1ccc(NC(=O)C(F)(F)F)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 6/20 0.42
PPARA Q07869 2/20 0.38
NPY5R Q15761 1/20 0.38
ADRB1 P08588 5/20 0.36
S1PR4 O95977 4/20 0.35
S1PR1 P21453 4/20 0.35
S1PR3 Q99500 4/20 0.35
S1PR5 Q9H228 4/20 0.35
MMP2 P08253 1/20 0.35
PDK1 Q15118 1/20 0.35
PDK2 Q15119 1/20 0.35
PDK3 Q15120 1/20 0.35
PDK4 Q16654 1/20 0.35
MAPT P10636 1/20 0.35
NPR3 P17342 1/20 0.34

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
SCHEMBL7120405 1.00 ADRB3 (0.42) ADRB3PPARANPY5RADRB1S1PR4
SCHEMBL7111944 0.89 ADRB3 (0.44) ADRB3NPY5RADRB1
SCHEMBL7117639 0.89 ADRB3 (0.44) ADRB3NPY5RADRB1
SCHEMBL7120719 0.85 ADRB3 (0.49) ADRB3MAPT
SCHEMBL7120714 0.85 ADRB3 (0.49) ADRB3MAPT
SCHEMBL7113390 0.85 ADRB3 (0.37) ADRB3ADRB1
SCHEMBL7113384 0.85 ADRB3 (0.37) ADRB3ADRB1
SCHEMBL7171047 0.82 KCNH2 (0.46) ADRB3ADRB1
SCHEMBL7171059 0.82 KCNH2 (0.46) ADRB3ADRB1
SCHEMBL7120259 0.75 ADRB3 (0.34) ADRB3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6569873-B2 Treating or inhibiting metabolic disorders related to insulin resistance or hyperglycemia, atherosclerosis, gastrointestinal disorders, neurogenetic inflammation, glaucoma, ocular hypertension and frequent urination WYETH 2003-05-27 US disclosed
US-20030055079-A1 Azolidines as beta-3 adrenergic receptor agonists WYETH 2003-03-20 US disclosed
US-6465501-B2 USEFUL IN TREATING OR INHIBITING METABOLIC DISORDERS RELATED TO INSULIN RESISTANCE OR HYPERGLYCEMIA, ATHEROSCLEROSIS, GASTROINTESTINAL DISORDERS, NEUROGENETIC INFLAMMATION, GLAUCOMA, OCULAR HYPERTENSION AND INCONTINENCE WYETH 2002-10-15 US disclosed
US-20020032222-A1 Azolidines as beta-3 adrenergic receptor agonists AMERICAN HOME PRODUCTS CORPORATION (US) 2002-03-14 US disclosed
WO-2002006258-A1 AZOLIDINES 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-20030055079-A1 Azolidines as beta-3 adrenergic receptor agonists GPR119, ADRB1, ADRB3 ADRB3 3/4885PPARA 1143/4885NPY5R 52/4885
US-20020032222-A1 Azolidines as beta-3 adrenergic receptor agonists GPR119, ADRB1, ADRB3 ADRB3 3/4885PPARA 1143/4885NPY5R 52/4885

“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.