SCHEMBL7114709

SCHEMBL7114709

CC(C)(C)OC(=O)N(CCc1ccc(NC2SC(=O)NC2=O)cc1)C[C@H](O)COc1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 4/20 0.49
HTR2A P28223 1/20 0.37
ADRB1 P08588 3/20 0.37
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
ADRB2 P07550 1/20 0.36
KCNH2 Q12809 3/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL7170035 0.94 ADRB3 (0.50) ADRB3ADRB1ADRB2KCNH2CYP1A2
SCHEMBL7115656 0.93 ADRB3 (0.49) ADRB3ADRB1PPARGADRB2KCNH2
SCHEMBL7114770 0.92 ADRB3 (0.48) ADRB3ADRB1KCNH2CYP1A2CYP2D6
SCHEMBL7114772 0.92 ADRB3 (0.48) ADRB3ADRB1KCNH2CYP1A2CYP2D6
SCHEMBL7114813 0.91 ADRB3 (0.48) ADRB3ADRB1PPARGKCNH2CYP1A2
SCHEMBL7114818 0.91 ADRB3 (0.48) ADRB3ADRB1PPARGKCNH2CYP1A2
SCHEMBL7120389 0.89 ADRB3 (0.39) ADRB3ADRB1PPARGPPARDPPARA
SCHEMBL7115921 0.88 ADRB3 (0.45) ADRB3ADRB1PPARGKCNH2CYP1A2
SCHEMBL7119103 0.83 ADRB3 (0.47) ADRB3ADRB1ADRB2KCNH2CYP1A2
SCHEMBL7118928 0.82 ADRB3 (0.40) ADRB3ADRB1PPARGADRB2KCNH2

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 3/4885HTR2A 781/4885ADRB1 2/4885
US-20020032222-A1 Azolidines as beta-3 adrenergic receptor agonists GPR119, ADRB1, ADRB3 ADRB3 3/4885HTR2A 781/4885ADRB1 2/4885

“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.