Ether

Ether

SCHEMBL1414943

CC(C)(C)COCC(C)(C)C.CCOCC

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL90144 0.90
SCHEMBL18191 0.86 CYP2C19 (0.42) TSHRTDP1CYP2C19
SCHEMBL28557000 0.82 CYP2C19 (0.40) TSHRTDP1CYP2C19
Hydrochloric Acid SCHEMBL8858515 0.82 CYP2C19 (0.40) TSHRTDP1CYP2C19
Ammonia Solution, Strong SCHEMBL27688316 0.82 CYP2C19 (0.40) TSHRTDP1CYP2C19
SCHEMBL14269136 0.81 ALDH1A1 (0.41) TSHRTDP1CYP2C19ALDH1A1
SCHEMBL16657033 0.81 CYP2C19 (0.32) TSHRTDP1CYP2C19
Alcohol SCHEMBL718819 0.80 TSHR (0.40) TSHRTDP1CYP2C19ALDH1A1
SCHEMBL26576418 0.79 ALDH1A1 (0.39) TSHRTDP1CYP2C19ALDH1A1
SCHEMBL28228952 0.79 ALDH1A1 (0.39) TSHRTDP1CYP2C19ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3294735-B1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMA (US) 2021-10-27 EP claimed
EP-1713808-B1 TWO-PHASE METHOD FOR THE SYNTHESIS OF SELECTED PYRAZOLOPYRIMIDINES MALLINCKRODT INC (US) 2010-02-24 EP claimed
EP-2292593-A2 Carbamic acid compounds comprising a sulfonamide linkage as HDAC inhibitors TopoTarget UK Limited (GB) 2011-03-09 EP disclosed
US-7625904-B2 Methods for the treatment of sleep disorders SMITHKLINE BEECHAM CORPORATION (US) 2009-12-01 US disclosed
US-7557140-B2 Carbamic acid compounds comprising a sulfonamide linkage as HDAC inhibitors TOPOTARGET UK LIMITED (GB) 2009-07-07 US disclosed
EP-1460066-B1 Piperazine compounds as Tachykinins inhibitors GLAXO GROUP LTD (GB) 2009-07-01 EP disclosed
US-20080249108-A1 Chemical Compounds GLAXO GROUP LIMITED (GB) 2008-10-09 US disclosed
EP-1454901-B1 Pharmaceutical compositions comprising tachykinins antagonists and a serotonin reuptake inhibitor. GLAXO GROUP LTD (GB) 2008-09-03 EP disclosed
US-7407988-B2 Carbamic acid compounds comprising a sulfonamide linkage as HDAC inhibitors TOPOTARGET UK LIMITED (GB) 2008-08-05 US disclosed
US-20080161401-A1 CARBAMIC ACID COMPOUNDS COMPRISING A SULFONAMIDE LINKAGE AS HDAC INHIBITORS TOPOTARGET UK LIMITED (GB) 2008-07-03 US disclosed
US-7345041-B2 treatment of sleep disorders or inflammatory diseases of the bladder by administering N-benzyl-2-phenylpiperazine-1-carboxamides, e.g., 2-(S)-(4-Fluoro-2-methyl-phenyl)-piperazine-1-carboxylic acid [1-(R)-(3,5-bis-trifluoromethyl-phenyl)-ethyl]-methyl-amide methansulphonate SMITHKLINE BEECHAM CORPORATION (US) 2008-03-18 US disclosed
EP-1460066-A1 Piperazine compounds GLAXO GROUP LIMITED (GB) 2004-09-22 EP disclosed
EP-1454901-A1 Piperazine compounds and pharmaceutical compositions containing them. GLAXO GROUP LIMITED (GB) 2004-09-08 EP disclosed
EP-1218359-B1 PIPERAZINE COMPOUNDS AS TACHYKININS ANTAGONISTS GLAXO GROUP LTD (GB) 2004-07-07 EP disclosed
US-20040077726-A1 Carbamic acid compounds comprising a sulfonamide linkage as hdac inhibitors SWK FUNDING LLC 2004-04-22 US disclosed
US-20040048862-A1 Chemical compounds GLAXO GROUP LIMITED (GB) 2004-03-11 US disclosed
US-6642240-B2 Piperazine derivatives; antagonists of tachykinins, including substance P; 2-(4-fluoro-2-methyl-phenyl)piperazine-1-carboxylic acid (3,5-bis-trifluoromethyl-benzyl)methyl amide for example SMITHKLINE BEECHAM CORPORATION 2003-11-04 US disclosed
US-20030028021-A1 Chemical compounds GLAXO GROUP LIMITED (GB) 2003-02-06 US disclosed
EP-1218359-A2 PIPERAZINE COMPOUNDS GLAXO GROUP LIMITED (GB) 2002-07-03 EP disclosed
WO-2001025219-A2 PIPERAZINE COMPOUNDS GLAXO GROUP LIMITED (GB) 2001-04-12 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 (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-20030028021-A1 Chemical compounds TACR1, TACR2, TAC3 TSHR 1620/4885TDP1 4615/4885CYP2C19 1229/4885
US-20080161401-A1 CARBAMIC ACID COMPOUNDS COMPRISING A SULFONAMIDE LINKAGE AS HDAC INHIBITORS HDAC1, HDAC11, HDAC3 TSHR 2274/4885TDP1 3703/4885CYP2C19 975/4885
US-20040048862-A1 Chemical compounds TACR1, TACR2, TAC3 TSHR 1620/4885TDP1 4615/4885CYP2C19 1229/4885
US-20040077726-A1 Carbamic acid compounds comprising a sulfonamide linkage as hdac inhibitors HDAC1, HDAC11, HDAC2 TSHR 2404/4885TDP1 3738/4885CYP2C19 972/4885
US-20080249108-A1 Chemical Compounds CYP11B2, CYP11B1, CYP21A2 TSHR 2545/4885TDP1 3909/4885CYP2C19 20/4885

“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.