SCHEMBL925251

SCHEMBL925251

O=S(=O)(NC1CCCCC1)c1cccc(CO)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.61
LMNA P02545 5/20 0.61
KMT2A Q03164 2/20 0.61
KDM4E B2RXH2 3/20 0.54
RECQL P46063 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
TSHR P16473 2/20 0.54
CYP3A4 P08684 2/20 0.54
HTT P42858 4/20 0.52
HPGD P15428 3/20 0.52
NPSR1 Q6W5P4 3/20 0.52
MAPK1 P28482 2/20 0.52
BRD4 O60885 2/20 0.50
MEN1 O00255 1/20 0.49
ADRB2 P07550 1/20 0.48
ADRB1 P08588 1/20 0.48
ADRB3 P13945 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48

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
SCHEMBL14249971 0.93 ALDH1A1 (0.58) ALDH1A1LMNAKMT2AKDM4ERECQL
SCHEMBL13432804 0.86 ALDH1A1 (0.58) ALDH1A1LMNAKMT2AKDM4ERECQL
SCHEMBL13432436 0.83 ALDH1A1 (0.55) ALDH1A1LMNAKMT2AKDM4ERECQL
SCHEMBL3389722 0.81 ALDH1A1 (0.53) ALDH1A1LMNAKMT2AKDM4ERECQL
SCHEMBL14376189 0.81 ALDH1A1 (0.56) ALDH1A1LMNAKMT2AKDM4ERECQL
SCHEMBL3389805 0.81 ALDH1A1 (0.53) ALDH1A1LMNAKMT2AKDM4ERECQL
SCHEMBL18151626 0.81 ALDH1A1 (0.55) ALDH1A1LMNAKMT2AKDM4ERECQL
SCHEMBL1710571 0.80 LMNA (0.54) ALDH1A1LMNAKMT2AKDM4ERECQL
SCHEMBL5366022 0.79 ALDH1A1 (0.45) ALDH1A1LMNAKMT2ASMN1; SMN2BRD4
SCHEMBL5366023 0.79 ALDH1A1 (0.45) ALDH1A1LMNAKMT2ASMN1; SMN2BRD4

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103288793-B The Phenethanolamine derivative for the treatment of respiratory disease GLAXO GROUP LTD. (GB) 2015-09-23 CN disclosed
US-RE44874-E1 Phenethanolamine derivatives for treatment of respiratory diseases GLAXO GROUP LIMITED (GB) 2014-04-29 US disclosed
CN-101701006-B Phenethanolamine derivatives for treatment of respiratory diseases GLAXO GROUP LTD 2014-03-05 CN disclosed
EP-2042168-B1 Inhalation formulation comprising phenethanolamine derivatives for the treatment of respiratory diseases GLAXO GROUP LTD (GB) 2013-10-23 EP disclosed
CN-103288793-A Phenethanolamine derivatives for treatment of respiratory diseases GLAXO GROUP LTD 2013-09-11 CN disclosed
US-8198483-B2 Phenethanolamine derivatives for treatment of respiratory diseases GLAXO GROUP LIMITED (GB) 2012-06-12 US disclosed
US-20110269970-A1 Phenethanolamine Derivatives for Treatment of Respiratory Diseases GLAXO GROUP LIMITED (GB) 2011-11-03 US disclosed
US-7982067-B2 Phenethanolamine derivatives for treatment of respiratory diseases GLAXO GROUP LIMITED (GB) 2011-07-19 US disclosed
US-20110009631-A1 Phenethanolamine Derivatives for Treatment of Respiratory Diseases GLAXO GROUP LIMITED (GB) 2011-01-13 US disclosed
CN-1585633-B Phenylethanolamine derivatives for the treatment of respiratory diseases GLAXO GROUP LTD 2010-10-27 CN disclosed
US-20080003290-A1 Phenethanolamine Derivatives for Treatment of Respiratory Diseases GLAXO GROUP LIMITED (GB) 2008-01-03 US disclosed
EP-1497261-B1 PHENETHANOLAMINE DERIVATIVES GLAXO GROUP LTD (GB) 2007-12-19 EP disclosed
US-7271197-B2 Phenethanolamine derivatives GLAXO GROUP LIMITED (GB) 2007-09-18 US disclosed
US-20050256201-A1 Phenethanolamine derivatives GLAXO GROUP LIMITED 2005-11-17 US disclosed
US-20050075394-A1 Phenethanolamine derivatives for treatment of respiratory diseases GLAXO GROUP LIMITED (GB) 2005-04-07 US disclosed
CN-1585633-A Phenylethanolamine derivatives for the treatment of respiratory diseases GLAXO GROUP LTD (GB) 2005-02-23 CN disclosed
EP-1497261-A1 PHENETHANOLAMINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2005-01-19 EP disclosed
EP-1425001-A1 PHENETHANOLAMINE DERIVATIVES FOR TREATMENT OF RESPIRATORY DISEASES GLAXO GROUP LIMITED (GB) 2004-06-09 EP disclosed
WO-2003091204-A1 PHENETHANOLAMINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2003-11-06 WO disclosed
WO-2003024439-A1 PHENETHANOLAMINE DERIVATIVES FOR TREATMENT OF RESPIRATORY DISEASES GLAXO GROUP LIMITED (GB) 2003-03-27 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 (5 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-20080003290-A1 Phenethanolamine Derivatives for Treatment of Respiratory Diseases PHOSPHO1, PNMT, PEBP1 ALDH1A1 1773/4885LMNA 718/4885KMT2A 183/4885
US-20110269970-A1 Phenethanolamine Derivatives for Treatment of Respiratory Diseases PNMT, HRH2, CHKB ALDH1A1 918/4885LMNA 1472/4885KMT2A 257/4885
US-20110009631-A1 Phenethanolamine Derivatives for Treatment of Respiratory Diseases PHOSPHO1, PNMT, PEBP1 ALDH1A1 2030/4885LMNA 934/4885KMT2A 369/4885
US-20050256201-A1 Phenethanolamine derivatives PNMT, PHOSPHO1, NAPEPLD ALDH1A1 2113/4885LMNA 462/4885KMT2A 95/4885
US-20050075394-A1 Phenethanolamine derivatives for treatment of respiratory diseases PHOSPHO1, PNMT, PEBP1 ALDH1A1 2157/4885LMNA 552/4885KMT2A 171/4885

“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.