SCHEMBL4165840

SCHEMBL4165840

CS(=O)(=O)Nc1cc([C@@H](O)CN[C@H](CO)c2ccccc2)ccc1O

nearest known ligand 0.80

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 20/20 0.80

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
SCHEMBL7037490 0.89 ADRB3 (1.00) ADRB3
SCHEMBL4884668 0.83 ADRB3 (0.79) ADRB3
SCHEMBL7037443 0.83 ADRB3 (1.00) ADRB3
SCHEMBL7039402 0.83 ADRB3 (0.94) ADRB3
SCHEMBL5209785 0.82 ADRB3 (0.64) ADRB3
SCHEMBL7039307 0.82 ADRB3 (1.00) ADRB3
SCHEMBL7113996 0.82 ADRB3 (1.00) ADRB3
SCHEMBL7113998 0.82 ADRB3 (1.00) ADRB3
SCHEMBL7042311 0.82 ADRB3 (1.00) ADRB3
SCHEMBL7039312 0.82 ADRB3 (1.00) ADRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090105309-A1 Medicinal Compounds GLAXO GROUP LIMITED (GB) 2009-04-23 — — US disclosed
EP-1675823-B1 PHENETHANOLAMINE DERIVATIVES FOR THE TREATMENT OF RESPIRATORY DISEASES GLAXO GROUP LTD (GB) 2008-07-23 — — EP disclosed
US-7402598-B2 Arylethanolamine β2-adrenoreceptor agonist compounds GLAXO GROUP LIMITED (GB) 2008-07-22 — — US disclosed
US-20060111344-A1 Arylethanolamine beta2-adrenoreceptor agonist compounds GLAXO GROUP LIMITED (GB) 2006-05-25 — — 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-20060111344-A1 Arylethanolamine beta2-adrenoreceptor agonist compounds ADRB2, ADRB1, ADRA2A ADRB3 6/4885
US-20090105309-A1 Medicinal Compounds ADRB2, ADRB1, ADRB3 ADRB3 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.

Send feedback