SCHEMBL4628323

SCHEMBL4628323

O=S(=O)(c1ccc(C#CCCOCCCCCCBr)cc1)C1CCCC1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 3/20 0.36
ADRB2 P07550 2/20 0.34
ADRB1 P08588 2/20 0.34
ADRB3 P13945 2/20 0.34
MMP1 P03956 2/20 0.33
MMP8 P22894 2/20 0.33
MMP13 P45452 2/20 0.33
PTPN2 P17706 3/20 0.32
PTPN1 P18031 3/20 0.32
PTPN6 P29350 3/20 0.32
PTPN11 Q06124 3/20 0.32
CYP3A4 P08684 1/20 0.31
HTR1A P08908 1/20 0.31
CYP2D6 P10635 1/20 0.31
HTR1B P28222 1/20 0.31
NMT1 P30419 1/20 0.31
NAMPT P43490 2/20 0.30
HTR2A P28223 1/20 0.30
KCNH2 Q12809 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
SCHEMBL4628637 0.87 ADRB2 (0.38) ADRB2ADRB1ADRB3PTPN2PTPN1
SCHEMBL4824727 0.86 ADRB2 (0.38) ADRB2ADRB1ADRB3CYP3A4HTR1A
SCHEMBL4627356 0.80 ALOX5AP (0.31) HTR2AKCNH2
SCHEMBL5441017 0.75 PTPN2 (0.47) PTPN2PTPN1PTPN6PTPN11KCNH2
SCHEMBL10464556 0.74 PTPN2 (0.40) PTPN2PTPN1PTPN6PTPN11HTR2A
SCHEMBL10488165 0.72 CYP3A4 (0.36) PTPN2PTPN1PTPN6PTPN11CYP3A4
SCHEMBL4628643 0.71 ADRB2 (0.54) ADRB2ADRB1ADRB3CYP3A4HTR1A
SCHEMBL10488159 0.71 AR (0.45) ADRB2ADRB1ADRB3NAMPT
SCHEMBL4802684 0.71 CA1 (0.48) ADRB2ADRB1ADRB3
SCHEMBL9763284 0.70 GPR119 (0.39) MMP13PTPN2PTPN1PTPN6PTPN11

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 ADAM17 3893/4885ADRB2 83/4885ADRB1 176/4885

“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.