SCHEMBL4628637

SCHEMBL4628637

O=S(=O)(c1cccc(C#CCCOCCCCCCBr)c1)C1CCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 5/20 0.38
ADRB1 P08588 5/20 0.38
ADRB3 P13945 5/20 0.38
CYP3A4 P08684 2/20 0.38
HTR1A P08908 2/20 0.38
CYP2D6 P10635 2/20 0.38
HTR1B P28222 2/20 0.38
FFAR4 Q5NUL3 1/20 0.36
DRD2 P14416 1/20 0.35
HTR2A P28223 2/20 0.33
KCNH2 Q12809 2/20 0.33
HTR2C P28335 1/20 0.33
AKR1C3 P42330 3/20 0.32
MCOLN3 Q8TDD5 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 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
SCHEMBL4824727 0.99 ADRB2 (0.38) ADRB2ADRB1ADRB3CYP3A4HTR1A
SCHEMBL4628323 0.87 ADAM17 (0.36) ADRB2ADRB1ADRB3CYP3A4HTR1A
SCHEMBL4802684 0.83 CA1 (0.48) ADRB2ADRB1ADRB3CA12CA1
SCHEMBL4628643 0.80 ADRB2 (0.54) ADRB2ADRB1ADRB3CYP3A4HTR1A
SCHEMBL4627356 0.78 ALOX5AP (0.31) DRD2HTR2AKCNH2HTR2C
SCHEMBL5182582 0.73 ALDH1A1 (0.44) PTPN2PTPN1PTPN6PTPN11
SCHEMBL4810292 0.73 CA1 (0.49) ADRB2ADRB1ADRB3CA12CA1
SCHEMBL5180747 0.70 PTPN2 (0.46) PTPN2PTPN1PTPN6PTPN11
SCHEMBL5447152 0.70 IKBKB (0.37) ADRB2ADRB1ADRB3PTPN11
SCHEMBL4807768 0.69 FBP1 (0.37)

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-7442839-B2 Phenethanolamine derivative for the treatment of respiratory diseases GLAXO GROUP LIMITED (GB) 2008-10-28 US disclosed
EP-1556342-B1 PHENETHANOLAMINE DERIVATIVE FOR THE TREATMENT OF RESPIRATORY DISEASES GLAXO GROUP LTD (GB) 2008-03-26 EP disclosed
US-20060205794-A1 Phenethanolamine derivative for the treatment of respiratory diseases GLAXO GROUP LIMITED (GB) 2006-09-14 US disclosed
EP-1556342-A1 PHENETHANOLAMINE DERIVATIVE FOR THE TREATMENT OF RESPIRATORY DISEASES GLAXO GROUP LIMITED (GB) 2005-07-27 EP disclosed
WO-2004037773-A1 PHENETHANOLAMINE DERIVATIVE FOR THE TREATMENT OF RESPIRATORY DISEASES GLAXO GROUP LIMITED (GB) 2004-05-06 WO 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-20060205794-A1 Phenethanolamine derivative for the treatment of respiratory diseases PHOSPHO1, PNMT, NAPEPLD ADRB2 83/4885ADRB1 176/4885ADRB3 155/4885

“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.