SCHEMBL925391

SCHEMBL925391

CC(C)(C)OC(=O)N(CC(=O)c1ccc2c(c1)COC(C)(C)O2)C(=O)OC(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
COXFA4 O00483 1/20 0.31
GPR119 Q8TDV5 1/20 0.31
PARP1 P09874 1/20 0.31
ABCB1 P08183 2/20 0.30
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30
RXRA P19793 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
SCHEMBL28783308 0.85 MEN1 (0.31) MEN1KMT2ACOXFA4GPR119PARP1
SCHEMBL15579052 0.83 MAPT (0.33) MEN1KMT2ACOXFA4
SCHEMBL925393 0.80 AVPR1A (0.37) MEN1KMT2AGPR119ABCB1
SCHEMBL14357334 0.77 ATM (0.50) MEN1KMT2ARXRA
SCHEMBL829418 0.76 GNG2 (0.40) MEN1KMT2ARXRA
SCHEMBL30563103 0.76 GNG2 (0.40) MEN1KMT2ARXRA
SCHEMBL27636279 0.76 ATM (0.36) MEN1KMT2ACOXFA4PTGS1PTGS2
SCHEMBL30983074 0.76 TSHR (0.41) RXRA
SCHEMBL925394 0.75 MT-CO2 (0.32) GPR119
SCHEMBL960318 0.74 MAPT (0.46) KMT2ARXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114736186-A Method for synthesizing vilanterol intermediate from tert-butyl carbamate 安徽德信佳生物医药有限公司 2022-07-12 CN disclosed
US-20150239862-A1 PROCESS FOR THE PREPARATION OF VILANTEROL AND INTERMEDIATES THEREOF PERRIGO API LTD. (IL) 2015-08-27 US disclosed
US-20150239862-A1 PROCESS FOR THE PREPARATION OF VILANTEROL AND INTERMEDIATES THEREOF PERRIGO API LTD. (IL) 2015-08-27 US disclosed
US-RE44874-E1 Phenethanolamine derivatives for treatment of respiratory diseases GLAXO GROUP LIMITED (GB) 2014-04-29 US disclosed
WO-2014041565-A2 AN IMPROVED PROCESS FOR THE PREPARATION OF VILANTEROL AND INTERMEDIATES THEREOF LAURUS LABS PRIVATE LIMITED (IN) 2014-03-20 WO 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
EP-1395604-A1 NOVEL ANTI INFLAMMATORY 17.ALPHA.-HETEROCYCLIC-ESTERS OF 17.BETA.-CARBOTHIOATE ANDROSTANE DERIVATIVES GLAXO GROUP LIMITED (GB) 2004-03-10 EP disclosed
EP-1366025-A1 AGONISTS OF BETA-ADRENOCEPTORS GLAXO GROUP LIMITED (GB) 2003-12-03 EP disclosed
EP-1360174-A1 PHENETHANOLAMINE DERIVATIVES FOR TREATMENT OF RESPIRATORY DISEASES GLAXO GROUP LIMITED (GB) 2003-11-12 EP disclosed
WO-2003091204-A1 PHENETHANOLAMINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2003-11-06 WO disclosed
WO-2003072539-A1 PHENETHANOLAMINE DERIVATIVES FOR TREATMENT OF RESPIRATORY DISEASES GLAXO GROUP LIMITED (GB) 2003-09-04 WO disclosed
WO-2003035668-A2 NOVEL ANTI-INFLAMMATORY ANDROSTANE DERIVATIVES -17-CARBOXY-LACTONE SUBSTITUTED STEROIDS WITH AN ARYL-CARBOXYLIC ESTER IN POSITION 17.ALPHA GLAXO GROUP LIMITED (GB) 2003-05-01 WO disclosed
WO-2003024439-A1 PHENETHANOLAMINE DERIVATIVES FOR TREATMENT OF RESPIRATORY DISEASES GLAXO GROUP LIMITED (GB) 2003-03-27 WO disclosed
WO-2002100879-A1 NOVEL ANTI-INFLAMMATORY 17.ALPHA.-HETEROCYCLIC-ESTERS OF 17.BETA.CARBOTHIOATE ANDROSTANE DERIVATIVES GLAXO GROUP LIMITED (GB) 2002-12-19 WO disclosed
WO-2002070490-A1 AGONISTS OF BETA-ADRENOCEPTORS GLAXO GROUP LIMITED (GB) 2002-09-12 WO disclosed
WO-2002066422-A1 PHENETHANOLAMINE DERIVATIVES FOR TREATMENT OF RESPIRATORY DISEASES GLAXO GROUP LIMITED (GB) 2002-08-29 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 (3 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-20150239862-A1 PROCESS FOR THE PREPARATION OF VILANTEROL AND INTERMEDIATES THEREOF VAT1, VKORC1L1, VKORC1 MEN1 3270/4885KMT2A 3964/4885COXFA4 1320/4885
US-20110269970-A1 Phenethanolamine Derivatives for Treatment of Respiratory Diseases PNMT, HRH2, CHKB MEN1 3658/4885KMT2A 257/4885COXFA4 1140/4885
US-20110009631-A1 Phenethanolamine Derivatives for Treatment of Respiratory Diseases PHOSPHO1, PNMT, PEBP1 MEN1 1526/4885KMT2A 369/4885COXFA4 247/4885

“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.