SCHEMBL4670076

SCHEMBL4670076

O=S(=O)(Nc1ccc2c(c1)CCC(CNCC(O)c1cccnc1)O2)c1cccc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 18/20 0.44
ADRB2 P07550 15/20 0.44
ADRB1 P08588 15/20 0.44

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
SCHEMBL4671845 0.84 ADRB2 (0.57) ADRB3ADRB2ADRB1
SCHEMBL4672343 0.83 ADRB2 (0.58) ADRB3ADRB2ADRB1
SCHEMBL4675124 0.83 ADRB2 (0.46) ADRB3ADRB2ADRB1
SCHEMBL6284162 0.79 ADRB2 (0.50) ADRB3ADRB2ADRB1
SCHEMBL6281088 0.79 ADRB2 (0.48) ADRB3ADRB2ADRB1
SCHEMBL6281091 0.79 ADRB2 (0.48) ADRB3ADRB2ADRB1
SCHEMBL4672101 0.79 ADRB3 (0.41) ADRB3ADRB2ADRB1
SCHEMBL4670486 0.79 ADRB3 (0.41) ADRB3ADRB2ADRB1
SCHEMBL4672102 0.79 ADRB3 (0.41) ADRB3ADRB2ADRB1
SCHEMBL4670116 0.79 ADRB3 (0.41) ADRB3ADRB2ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1054881-B1 NOVEL SULFONAMIDE SUBSTITUTED CHROMAN DERIVATIVES USEFUL AS BETA-3 ADRENORECEPTOR AGONISTS BAYER CORP (US) 2008-07-30 EP disclosed
US-20040072843-A1 Novel sulfonamide substituted chroman derivatives useful as beta 3 adrenoreceptor agonists LADOUCEUR GAETAN H (US) 2004-04-15 US disclosed
US-20030073839-A1 Compounds useful for preparation of Beta-3 adrenoreceptor agonist BAYER PHARMACEUTICALS CORPORATION 2003-04-17 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 (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-20040072843-A1 Novel sulfonamide substituted chroman derivatives useful as beta 3 adrenoreceptor agonists ADRB3, ADRB2, ADRB1 ADRB3 1/4885ADRB2 2/4885ADRB1 3/4885
US-20030073839-A1 Compounds useful for preparation of Beta-3 adrenoreceptor agonist ADRB3, ADRB2, ADRB1 ADRB3 1/4885ADRB2 2/4885ADRB1 3/4885

“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.