Sugi Predict

Sugi Predict / Compounds / SCHEMBL6283648

SCHEMBL6283648

SCHEMBL6283648

CC(C)(C)OC(=O)N(C[C@H]1CCc2cc(-c3cccc(C(=O)O)c3)ccc2O1)C[C@@H](O[Si](C)(C)C(C)(C)C)c1cccnc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 3/20 0.38
▸ KMO O15229 1/20 0.35
▸ FFAR4 Q5NUL3 2/20 0.34
▸ KCNA5 P22460 2/20 0.33
▸ KDM4D Q6B0I6 2/20 0.33
▸ GPR119 Q8TDV5 3/20 0.33
▸ KCNH2 Q12809 1/20 0.32
▸ ROCK2 O75116 2/20 0.32
▸ FFAR1 O14842 1/20 0.32
▸ SUCNR1 Q9BXA5 2/20 0.32
▸ CYP1A2 P05177 1/20 0.31
▸ CYP11B1 P15538 1/20 0.31
▸ CYP11B2 P19099 1/20 0.31
▸ GPR84 Q9NQS5 1/20 0.31

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
SCHEMBL6283640 1.00 ADRB3 (0.38) ADRB3KMOFFAR4KCNA5KDM4D
SCHEMBL7090210 0.93 ADRB3 (0.34) ADRB3FFAR4KCNA5KDM4DGPR119
SCHEMBL6282469 0.93 ADRB3 (0.34) ADRB3FFAR4KCNA5KDM4DGPR119
SCHEMBL6284029 0.90 FFAR4 (0.35) ADRB3FFAR4KDM4DGPR119FFAR1
SCHEMBL6284018 0.90 FFAR4 (0.35) ADRB3FFAR4KDM4DGPR119FFAR1
SCHEMBL6280603 0.86 KDM4D (0.34) ADRB3FFAR4KDM4DGPR119FFAR1
SCHEMBL6280608 0.86 KDM4D (0.34) ADRB3FFAR4KDM4DGPR119FFAR1
SCHEMBL6287396 0.85 FFAR4 (0.35) ADRB3FFAR4GPR119ROCK2FFAR1
SCHEMBL6287391 0.85 FFAR4 (0.35) ADRB3FFAR4GPR119ROCK2FFAR1
SCHEMBL6784959 0.83 GPR119 (0.35) ADRB3FFAR4GPR119FFAR1GPR84

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-20050215594-A1 2,6-Substituted chroman derivatives useful as beta-3 adrenoreceptor agonists BAYER PHARMACEUTICALS CORPORATION (US) 2005-09-29 — — US disclosed
US-6919371-B2 2,6-substituted chroman derivatives useful as beta-3 adrenoreceptor agonists BAYER PHARMACEUTICALS CORPORATION (US) 2005-07-19 — — US disclosed
US-20040072828-A1 2,6-Substituted chroman derivatives useful as beta-3 adrenoreceptor agonists BAYER PHARMACEUTICALS CORPORATION 2004-04-15 — — US disclosed
US-6660752-B2 Adrenergic blocking agents BAYER PHARMACEUTICALS CORPORATION 2003-12-09 — — US disclosed
US-20030078260-A1 2,6-Substituted chroman derivatives useful as beta-3 adrenoreceptor agonists BAYER PHARMACEUTICALS CORPORATION 2003-04-24 — — US 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 (3 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-20050215594-A1 2,6-Substituted chroman derivatives useful as beta-3 adrenoreceptor agonists ADRB3, ADRB2, ADRB1 ADRB3 1/4885KMO 1589/4885FFAR4 332/4885
US-20040072828-A1 2,6-Substituted chroman derivatives useful as beta-3 adrenoreceptor agonists ADRB3, ADRB2, ADRB1 ADRB3 1/4885KMO 1589/4885FFAR4 332/4885
US-20030078260-A1 2,6-Substituted chroman derivatives useful as beta-3 adrenoreceptor agonists ADRB3, ADRB2, ADRB1 ADRB3 1/4885KMO 1589/4885FFAR4 332/4885

“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.