Sugi Predict

Sugi Predict / Compounds / SCHEMBL6287396

SCHEMBL6287396

SCHEMBL6287396

COC(=O)c1ccccc1-c1ccc2c(c1)CC[C@H](CN(C[C@@H](O[Si](C)(C)C(C)(C)C)c1cccnc1)C(=O)OC(C)(C)C)O2

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 7/20 0.35
▸ BDKRB1 P46663 1/20 0.33
▸ FFAR1 O14842 3/20 0.33
▸ NPY2R P49146 1/20 0.32
▸ MTTP P55157 1/20 0.32
▸ ADRB3 P13945 1/20 0.31
▸ HSD17B3 P37058 1/20 0.31
▸ ROCK2 O75116 2/20 0.31
▸ GPR119 Q8TDV5 1/20 0.31
▸ HRH1 P35367 1/20 0.31
▸ SLC8A1 P32418 3/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ BRS3 P32247 1/20 0.30

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
SCHEMBL6287391 1.00 FFAR4 (0.35) FFAR4BDKRB1FFAR1NPY2RMTTP
SCHEMBL6280603 0.91 KDM4D (0.34) FFAR4FFAR1ADRB3GPR119SLC8A1
SCHEMBL6280608 0.91 KDM4D (0.34) FFAR4FFAR1ADRB3GPR119SLC8A1
SCHEMBL6282469 0.89 ADRB3 (0.34) FFAR4ADRB3ROCK2GPR119HRH1
SCHEMBL7090210 0.89 ADRB3 (0.34) FFAR4ADRB3ROCK2GPR119HRH1
SCHEMBL6285814 0.89 FFAR4 (0.32) FFAR4ADRB3GPR119SLC8A1
SCHEMBL6285808 0.89 FFAR4 (0.32) FFAR4ADRB3GPR119SLC8A1
SCHEMBL6286792 0.85 ROCK2 (0.32) ADRB3ROCK2HRH1SLC8A1
SCHEMBL6286797 0.85 ROCK2 (0.32) ADRB3ROCK2HRH1SLC8A1
SCHEMBL6284029 0.85 FFAR4 (0.35) FFAR4FFAR1ADRB3GPR119SLC8A1

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-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
EP-1389202-B1 2,6-SUBSTITUTED CHROMAN DERIVATIVES USEFUL AS BETA-3 ADRENORECEPTOR AGONISTS BAYER PHARMACEUTICALS CORP (US) 2004-09-29 — — EP 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 FFAR4 332/4885BDKRB1 107/4885FFAR1 328/4885
US-20040072828-A1 2,6-Substituted chroman derivatives useful as beta-3 adrenoreceptor agonists ADRB3, ADRB2, ADRB1 FFAR4 332/4885BDKRB1 107/4885FFAR1 328/4885
US-20030078260-A1 2,6-Substituted chroman derivatives useful as beta-3 adrenoreceptor agonists ADRB3, ADRB2, ADRB1 FFAR4 332/4885BDKRB1 107/4885FFAR1 328/4885

“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.