Ether

Ether

SCHEMBL5149563

CCOCC.O=S(=O)(O)c1ccccc1

nearest known ligand 0.67

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

BTKCACNA1CCACNA1DCACNA1FCACNA1SCACNA2D1CACNA2D2DRD2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQHRH1HTR2AP2RY12

The experimentally established mechanism targets of Ether. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
PSIP1 O75475 1/20 0.50
POLB P06746 1/20 0.47
CYP2D6 P10635 1/20 0.47
HSD11B1 P28845 2/20 0.44
ALDH1A1 P00352 5/20 0.42
KMT2A Q03164 3/20 0.42
LMNA P02545 2/20 0.42
MEN1 O00255 2/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
HTR6 P50406 1/20 0.41
NT5E P21589 1/20 0.40
MAPT P10636 1/20 0.40
ATM Q13315 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
Propane SCHEMBL28882618 0.87 TSHR (0.80) TSHRSMN1; SMN2PSIP1POLBCYP2D6
SCHEMBL3719208 0.85 TSHR (0.76) TSHRSMN1; SMN2PSIP1POLBCYP2D6
Butane SCHEMBL2906063 0.85 TSHR (0.76) TSHRSMN1; SMN2PSIP1POLBCYP2D6
Alcohol SCHEMBL281881 0.85 TSHR (0.76) TSHRSMN1; SMN2PSIP1POLBCYP2D6
SCHEMBL27464245 0.85 TSHR (0.76) TSHRSMN1; SMN2PSIP1POLBCYP2D6
(Phenylsulfonyl)Benzene SCHEMBL1679634 0.83 HTR6 (0.64) TSHRSMN1; SMN2PSIP1POLBHSD11B1
Ethylamine SCHEMBL5875345 0.83 TSHR (0.73) TSHRSMN1; SMN2PSIP1POLBCYP2D6
SCHEMBL29118883 0.83 TSHR (0.73) TSHRSMN1; SMN2PSIP1POLBCYP2D6
Alcohol SCHEMBL28562710 0.83 TSHR (0.73) TSHRSMN1; SMN2PSIP1POLBCYP2D6
Alcohol SCHEMBL28250646 0.83 TSHR (0.73) TSHRSMN1; SMN2PSIP1POLBCYP2D6

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113881418-B Alkylaniline polyether benzene sulfonate oil displacement surfactant and preparation method and application thereof 中国石油化工股份有限公司 2023-10-31 CN claimed
CN-115500232-A Cultivation method for improving ornamental quality of begonia aquifolium 云南省农业科学院花卉研究所 2022-12-23 CN claimed
CN-102199161-B Benzene sulfonic acid clopidogrel with crystal form I, preparation method thereof and application thereof TIANJIN CHASESUN PHARM CO LTD 2013-07-03 CN claimed
CN-102199161-A Benzene sulfonic acid clopidogrel with crystal form I, preparation method thereof and application thereof TIANJIAN CHASESUN PHARMACEUTICAL CO LTD 2011-09-28 CN claimed
CN-115500232-A Cultivation method for improving ornamental quality of begonia aquifolium 云南省农业科学院花卉研究所 2022-12-23 CN disclosed
CN-111869672-B Bactericidal composition and application thereof 河北省农林科学院植物保护研究所 2021-06-22 CN disclosed
CN-108477199-B Bactericidal composition and application thereof 河北省农林科学院植物保护研究所 2021-01-22 CN disclosed
CN-111869672-A Bactericidal composition and application thereof 河北省农林科学院植物保护研究所 2020-11-03 CN disclosed
CN-102199161-B Benzene sulfonic acid clopidogrel with crystal form I, preparation method thereof and application thereof TIANJIN CHASESUN PHARM CO LTD 2013-07-03 CN disclosed
CN-102285996-A Benzenesulfonic acid clopidogrel crystal form II, preparation method and application thereof 2011-12-21 CN disclosed
CN-102199161-A Benzene sulfonic acid clopidogrel with crystal form I, preparation method thereof and application thereof TIANJIAN CHASESUN PHARMACEUTICAL CO LTD 2011-09-28 CN disclosed
EP-1539707-A4 METHOD AND COMPOUNDS FOR PROMOTING HEALING AND REDUCING INFLAMMATION BIODIEM LTD (AU) 2007-05-30 EP disclosed
US-20060135587-A1 Method and compounds for promoting healing and reducing inflammation BIODIEM, LTD. (AU) 2006-06-22 US disclosed
EP-1539707-A1 METHOD AND COMPOUNDS FOR PROMOTING HEALING AND REDUCING INFLAMMATION Biodiem Ltd. (AU) 2005-06-15 EP disclosed
WO-2004013108-A1 METHOD AND COMPOUNDS FOR PROMOTING HEALING AND REDUCING INFLAMMATION BIODIEM LIMITED (AU) 2004-02-12 WO disclosed
EP-1049659-A1 FLUORINATED OXYVINYL COMPOUNDS AND METHODS OF PREPARING AND USING SAME AlliedSignal Inc. (US) 2000-11-08 EP disclosed
US-6133472-A OXYVINYL GROUPS SEPARATED FROM FLUORINE CONTAINING GROUPS BY AT LEAST ONE ALKYLENE GROUP HAVING 2-8 CARBON ATOMS AND BY AT LEAST ONE OXYGEN ATOM IN ADDITION TO THE OXYGEN ON THE OXYVINYL; READILY RADIATION CURABLE ALLIEDSIGNAL INC. (US) 2000-10-17 US disclosed
WO-1999036381-A1 FLUORINATED OXYVINYL COMPOUNDS AND METHODS OF PREPARING AND USING SAME ALLIEDSIGNAL INC. (US) 1999-07-22 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 (1 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-20060135587-A1 Method and compounds for promoting healing and reducing inflammation IL1B, MIF, ALKBH5 TSHR 4776/4885SMN1; SMN2 2994/4885PSIP1 1308/4885

“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.