SCHEMBL925100

SCHEMBL925100

CC1(C)OCc2cc(C(=O)CNC(=O)O)ccc2O1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
RXRA P19793 1/20 0.36
CTNNB1 P35222 4/20 0.33
WNT3A P56704 4/20 0.33
ROCK2 O75116 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPK1 P28482 1/20 0.33
ATM Q13315 1/20 0.33
MAPT P10636 3/20 0.33
ALDH1A1 P00352 2/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32
GLA P06280 1/20 0.32
RAB9A P51151 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HPGD P15428 1/20 0.32
PKM P14618 1/20 0.32

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
Trifluoroacetic Acid SCHEMBL6142521 0.93 ALDH1A1 (0.33) KMT2AMEN1RXRACTNNB1WNT3A
SCHEMBL925393 0.84 AVPR1A (0.37) KMT2AMEN1ROCK2MAPTALDH1A1
SCHEMBL14357334 0.83 ATM (0.50) KMT2AMEN1RXRACTNNB1WNT3A
SCHEMBL30563103 0.82 GNG2 (0.40) KMT2AMEN1RXRACTNNB1WNT3A
SCHEMBL829418 0.82 GNG2 (0.40) KMT2AMEN1RXRACTNNB1WNT3A
SCHEMBL27636279 0.82 ATM (0.36) KMT2AMEN1RXRACTNNB1WNT3A
SCHEMBL6142523 0.81 MEN1 (0.33) KMT2AMEN1ROCK2ATMMAPT
SCHEMBL14898029 0.81 RXRA (0.50) KMT2AMEN1RXRAKDM4EMAPK1
SCHEMBL17660491 0.81 ROCK2 (0.38) KMT2AMEN1ROCK2KDM4EMAPK1
SCHEMBL27517967 0.80 L3MBTL1 (0.38) KMT2AMEN1KDM4EMAPTALDH1A1

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 46 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-20050256201-A1 Phenethanolamine derivatives GLAXO GROUP LIMITED 2005-11-17 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
CN-1501911-A Phenethanolamine derivatives for treatment of respiratory diseases 2004-06-02 CN disclosed
EP-1366025-A1 AGONISTS OF BETA-ADRENOCEPTORS GLAXO GROUP LIMITED (GB) 2003-12-03 EP disclosed
WO-2002070490-A1 AGONISTS OF BETA-ADRENOCEPTORS GLAXO GROUP LIMITED (GB) 2002-09-12 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 (10 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-20040171597-A1 Anti-inflammatory 17.beta.-carbothioate ester derivatives of androstane with a cyclic ester group in position 17.alpha NR5A1, HSD17B7, HSD17B1 KMT2A 3721/4885MEN1 4075/4885RXRA 300/4885
US-20040248867-A1 Novel anti-inflammatory 17.alpha.-heterocyclic-esters of 17.beta.carbothioate androstane derivatives HSD17B1, NR5A1, HSD17B7 KMT2A 3586/4885MEN1 4431/4885RXRA 213/4885
US-20050209338-A1 Phenethanolamine derivatives for treatment of respiratory diseases PHOSPHO1, PNMT, PEBP1 KMT2A 171/4885MEN1 1655/4885RXRA 1434/4885
US-20040242890-A1 Agonists of beta-adrenoceptors ADRB1, ADRB2, ADRA1A KMT2A 4437/4885MEN1 3712/4885RXRA 802/4885
US-20110269970-A1 Phenethanolamine Derivatives for Treatment of Respiratory Diseases PNMT, HRH2, CHKB KMT2A 257/4885MEN1 3658/4885RXRA 970/4885
US-20110009631-A1 Phenethanolamine Derivatives for Treatment of Respiratory Diseases PHOSPHO1, PNMT, PEBP1 KMT2A 369/4885MEN1 1526/4885RXRA 1334/4885
US-20050256201-A1 Phenethanolamine derivatives PNMT, PHOSPHO1, NAPEPLD KMT2A 95/4885MEN1 1073/4885RXRA 2383/4885
US-20050075394-A1 Phenethanolamine derivatives for treatment of respiratory diseases PHOSPHO1, PNMT, PEBP1 KMT2A 171/4885MEN1 1655/4885RXRA 1434/4885
US-20050054622-A1 Novel anti-inflammatory androstane derivatives NR5A1, HSD3B2, HSD3B1 KMT2A 3586/4885MEN1 4400/4885RXRA 163/4885
US-20090068273-A1 Inhalation devices for delivering phenethanolamine derivatives for the treatment of respiratory diseases PNMT, CHRM3, HRH4 KMT2A 108/4885MEN1 3525/4885RXRA 1225/4885

“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.