Sugi Predict

Sugi Predict / Compounds / SCHEMBL6282469

SCHEMBL6282469

SCHEMBL6282469

COC(=O)c1cccc(-c2ccc3c(c2)CC[C@H](CN(C[C@H](O[Si](C)(C)C(C)(C)C)c2cccnc2)C(=O)OC(C)(C)C)O3)c1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 2/20 0.34
▸ SLC2A1 P11166 1/20 0.34
▸ KDM4D Q6B0I6 3/20 0.34
▸ CYP11B1 P15538 2/20 0.34
▸ CYP11B2 P19099 2/20 0.34
▸ CYP19A1 P11511 1/20 0.34
▸ NEK1 Q96PY6 1/20 0.33
▸ GPR119 Q8TDV5 1/20 0.32
▸ HRH1 P35367 1/20 0.32
▸ FFAR4 Q5NUL3 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2B6 P20813 1/20 0.31
▸ DGAT2 Q96PD7 1/20 0.31
▸ ROCK2 O75116 2/20 0.31
▸ KCNA5 P22460 1/20 0.31
▸ KDM1A O60341 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
SCHEMBL7090210 1.00 ADRB3 (0.34) ADRB3SLC2A1KDM4DCYP11B1CYP11B2
SCHEMBL6283648 0.93 ADRB3 (0.38) ADRB3KDM4DCYP11B1CYP11B2GPR119
SCHEMBL6283640 0.93 ADRB3 (0.38) ADRB3KDM4DCYP11B1CYP11B2GPR119
SCHEMBL6280608 0.90 KDM4D (0.34) ADRB3KDM4DGPR119FFAR4
SCHEMBL6280603 0.90 KDM4D (0.34) ADRB3KDM4DGPR119FFAR4
SCHEMBL6287396 0.89 FFAR4 (0.35) ADRB3GPR119HRH1FFAR4ROCK2
SCHEMBL6287391 0.89 FFAR4 (0.35) ADRB3GPR119HRH1FFAR4ROCK2
SCHEMBL6286797 0.88 ROCK2 (0.32) ADRB3SLC2A1HRH1ROCK2
SCHEMBL6286792 0.88 ROCK2 (0.32) ADRB3SLC2A1HRH1ROCK2
SCHEMBL6285814 0.87 FFAR4 (0.32) ADRB3GPR119FFAR4

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 1/4885SLC2A1 2719/4885KDM4D 4135/4885
US-20040072828-A1 2,6-Substituted chroman derivatives useful as beta-3 adrenoreceptor agonists ADRB3, ADRB2, ADRB1 ADRB3 1/4885SLC2A1 2719/4885KDM4D 4135/4885
US-20030078260-A1 2,6-Substituted chroman derivatives useful as beta-3 adrenoreceptor agonists ADRB3, ADRB2, ADRB1 ADRB3 1/4885SLC2A1 2719/4885KDM4D 4135/4885

“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.