SCHEMBL5119656

SCHEMBL5119656

CS(=O)(=O)Nc1cc([C@H](O)CNCCCCCCCOCCCc2cccc(S(=O)(=O)NOC=O)c2)ccc1O

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 20/20 0.65
ADRB1 P08588 19/20 0.65
ADRB3 P13945 19/20 0.65
CHRM3 P20309 1/20 0.58
CYP3A4 P08684 1/20 0.55
HTR1A P08908 1/20 0.55
CYP2D6 P10635 1/20 0.55
HTR1B P28222 1/20 0.55

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
SCHEMBL5127036 0.98 ADRB2 (0.68) ADRB2ADRB1ADRB3CHRM3CYP3A4
SCHEMBL5127985 0.89 ADRB2 (0.79) ADRB2ADRB1ADRB3CHRM3CYP3A4
SCHEMBL5127993 0.89 ADRB2 (0.79) ADRB2ADRB1ADRB3CHRM3CYP3A4
Formic Acid SCHEMBL5119641 0.88 ADRB2 (0.78) ADRB2ADRB1ADRB3CHRM3CYP3A4
SCHEMBL5128368 0.88 ADRB2 (0.63) ADRB2ADRB1ADRB3CYP3A4HTR1A
SCHEMBL5119281 0.87 ADRB2 (0.81) ADRB2ADRB1ADRB3CHRM3CYP3A4
SCHEMBL5119287 0.87 ADRB2 (0.81) ADRB2ADRB1ADRB3CHRM3CYP3A4
SCHEMBL5120445 0.87 ADRB2 (0.65) ADRB2ADRB1ADRB3CYP3A4HTR1A
Formic Acid SCHEMBL5127032 0.87 ADRB2 (0.81) ADRB2ADRB1ADRB3CHRM3CYP3A4
SCHEMBL4628295 0.84 ADRB2 (0.78) ADRB2ADRB1ADRB3CHRM3CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 ADRB2 1/4885ADRB1 2/4885ADRB3 6/4885

“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.