SCHEMBL925103

SCHEMBL925103

CC1(C)OCc2cc(N(CC=O)C(=O)O)ccc2O1

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.32
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
JAK2 O60674 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
RXRA P19793 2/20 0.31
RXRB P28702 1/20 0.30
RXRG P48443 1/20 0.30
HRH1 P35367 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
SCHEMBL925598 0.85 HIF1A (0.33) HIF1AALDH1A1MAPT
SCHEMBL5534700 0.73 HIF1A (0.32) HIF1AMAPT
SCHEMBL14898029 0.72 RXRA (0.50) MEN1ALDH1A1MAPTRAB9AKMT2A
SCHEMBL960318 0.70 MAPT (0.46) NPC1ALDH1A1MAPTRAB9AKMT2A
SCHEMBL30044913 0.70 ALDH1A1 (0.42) MEN1ALDH1A1MAPTRAB9AKMT2A
SCHEMBL13018533 0.69 CTSB (0.42)
SCHEMBL14898033 0.69 KDM4E (0.50) HIF1AMEN1ALDH1A1LMNAMAPT
SCHEMBL23705275 0.69 NPC1 (0.41) MEN1NPC1ALDH1A1MAPTHTT
SCHEMBL829418 0.68 GNG2 (0.40) MEN1ALDH1A1MAPTKMT2ARXRA
SCHEMBL7580541 0.68 BLM (0.41) LMNARXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE44874-E1 Phenethanolamine derivatives for treatment of respiratory diseases GLAXO GROUP LIMITED (GB) 2014-04-29 US disclosed
EP-2042168-B1 Inhalation formulation comprising phenethanolamine derivatives for the treatment of respiratory diseases GLAXO GROUP LTD (GB) 2013-10-23 EP 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
US-7776895-B2 Inhalation devices for delivering phenethanolamine derivatives for the treatment of respiratory diseases GLAXO GROUP LIMITED (GB) 2010-08-17 US disclosed
EP-2042168-A1 Inhalation device comprising phenethanolamine derivatives for treatment of respiratory diseases Glaxo Group Limited (GB) 2009-04-01 EP disclosed
EP-2039700-A2 Novel anti-inflammatory androstane derivatives Glaxo Group Limited (GB) 2009-03-25 EP disclosed
US-20090068273-A1 Inhalation devices for delivering phenethanolamine derivatives for the treatment of respiratory diseases GLAXO GROUP LIMITED (GB) 2009-03-12 US disclosed
US-20060287389-A1 PHENETHANOLAMINE DERIVATIVES FOR TREATMENT OF RESPIRATORY DISEASES GLAXO GROUP LIMITED (GB) 2006-12-21 US disclosed
US-20060287286-A1 PHENETHANOLAMINE DERIVATIVES FOR TREATMENT OF RESPIRATORY DISEASES GLAXO GROUP LIMITED (GB) 2006-12-21 US disclosed
US-7144908-B2 Agonists of beta-adrenoceptors GLAXO GROUP LIMITED (GB) 2006-12-05 US disclosed
US-7135600-B2 Selective beta 2-adrenoreceptor agonists; rapid onset of action, long duration; such as 3-(4-{[6-{(-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl}amino)hexyl]oxy}butyl)benzenesulfonamide; synthesis GLAXO GROUP LIMITED (GB) 2006-11-14 US disclosed
US-20050209338-A1 Phenethanolamine derivatives for treatment of respiratory diseases GLAXO GROUP LIMITED (GB) 2005-09-22 US disclosed
US-20050075394-A1 Phenethanolamine derivatives for treatment of respiratory diseases GLAXO GROUP LIMITED (GB) 2005-04-07 US disclosed
US-20050054622-A1 Novel anti-inflammatory androstane derivatives GLAXO GROUP LIMITED (GB) 2005-03-10 US disclosed
US-20040248867-A1 Novel anti-inflammatory 17.alpha.-heterocyclic-esters of 17.beta.carbothioate androstane derivatives GLAXO GROUP LIMITED (GB) 2004-12-09 US disclosed
US-20040242890-A1 Agonists of beta-adrenoceptors GLAXO GROUP LIMITED (GB) 2004-12-02 US disclosed
US-20040171597-A1 Anti-inflammatory 17.beta.-carbothioate ester derivatives of androstane with a cyclic ester group in position 17.alpha GLAXO GROUP LIMITED (GB) 2004-09-02 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 (11 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-20060287389-A1 PHENETHANOLAMINE DERIVATIVES FOR TREATMENT OF RESPIRATORY DISEASES PHOSPHO1, PNMT, PEBP1 HIF1A 574/4885MEN1 1655/4885NPC1 1351/4885
US-20040171597-A1 Anti-inflammatory 17.beta.-carbothioate ester derivatives of androstane with a cyclic ester group in position 17.alpha NR5A1, HSD17B7, HSD17B1 HIF1A 910/4885MEN1 4075/4885NPC1 2139/4885
US-20040248867-A1 Novel anti-inflammatory 17.alpha.-heterocyclic-esters of 17.beta.carbothioate androstane derivatives HSD17B1, NR5A1, HSD17B7 HIF1A 853/4885MEN1 4431/4885NPC1 1942/4885
US-20050209338-A1 Phenethanolamine derivatives for treatment of respiratory diseases PHOSPHO1, PNMT, PEBP1 HIF1A 574/4885MEN1 1655/4885NPC1 1351/4885
US-20040242890-A1 Agonists of beta-adrenoceptors ADRB1, ADRB2, ADRA1A HIF1A 403/4885MEN1 3712/4885NPC1 1272/4885
US-20060287286-A1 PHENETHANOLAMINE DERIVATIVES FOR TREATMENT OF RESPIRATORY DISEASES PHOSPHO1, PNMT, PEBP1 HIF1A 574/4885MEN1 1655/4885NPC1 1351/4885
US-20110269970-A1 Phenethanolamine Derivatives for Treatment of Respiratory Diseases PNMT, HRH2, CHKB HIF1A 1179/4885MEN1 3658/4885NPC1 2673/4885
US-20110009631-A1 Phenethanolamine Derivatives for Treatment of Respiratory Diseases PHOSPHO1, PNMT, PEBP1 HIF1A 1388/4885MEN1 1526/4885NPC1 1613/4885
US-20050075394-A1 Phenethanolamine derivatives for treatment of respiratory diseases PHOSPHO1, PNMT, PEBP1 HIF1A 574/4885MEN1 1655/4885NPC1 1351/4885
US-20050054622-A1 Novel anti-inflammatory androstane derivatives NR5A1, HSD3B2, HSD3B1 HIF1A 438/4885MEN1 4400/4885NPC1 1884/4885
US-20090068273-A1 Inhalation devices for delivering phenethanolamine derivatives for the treatment of respiratory diseases PNMT, CHRM3, HRH4 HIF1A 254/4885MEN1 3525/4885NPC1 1578/4885

“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.