Alfadex

Alfadex

SCHEMBL2229587

CCCC(OC(CCC)S(=O)(=O)O)S(=O)(=O)O.OC[C@H]1O[C@@H]2O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O[C@H]1[C@H](O)[C@H]2O)O[C@@H]7CO)O[C@@H]6CO)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
TSHR P16473 2/20 0.53
LMNA P02545 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
TXNRD1 Q16881 6/20 0.50
TXNRD3 Q86VQ6 6/20 0.50
TXNRD2 Q9NNW7 6/20 0.50
FYN P06241 1/20 0.39
MAOA P21397 1/20 0.39
SLC6A2 P23975 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
SLC6A3 Q01959 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
Betadex SCHEMBL193191 1.00 ALDH1A1 (0.53) ALDH1A1TSHRLMNATDP1TXNRD1
Betadex SCHEMBL306328 0.99 ALDH1A1 (0.51) ALDH1A1TSHRLMNATDP1TXNRD1
Betadex SCHEMBL21629653 0.92 ALDH1A1 (0.47) ALDH1A1TSHRLMNATDP1TXNRD1
Betadex SCHEMBL23198883 0.89 ALDH1A1 (0.56) ALDH1A1TSHRLMNATDP1TXNRD1
SCHEMBL29414129 0.88 ALDH1A1 (0.48) ALDH1A1TSHRLMNATDP1TXNRD1
Betadex SCHEMBL23198880 0.81 ALDH1A1 (0.59) ALDH1A1TSHRLMNATDP1TXNRD1
Alfadex SCHEMBL25413932 0.78 ALDH1A1 (0.80) ALDH1A1TSHRLMNATDP1TXNRD1
Alfadex SCHEMBL25414284 0.78 ALDH1A1 (0.80) ALDH1A1TSHRLMNATDP1TXNRD1
Betadex SCHEMBL8746198 0.76 ALDH1A1 (0.83) ALDH1A1TSHRLMNATDP1TXNRD1
Betadex SCHEMBL6516572 0.75 ALDH1A1 (0.80) ALDH1A1TSHRLMNATDP1TXNRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118319894-A Pharmaceutical composition and application thereof 广州润尔眼科生物科技有限公司 2024-07-12 CN claimed
EP-3548091-A1 PREPARATION OF SOLID CYCLODEXTRIN COMPLEXES FOR OPHTHALMIC ACTIVE PHARMACEUTICAL INGREDIENT DELIVERY Oculis SA (CH) 2019-10-09 EP claimed
WO-2018100434-A1 PREPARATION OF SOLID CYCLODEXTRIN COMPLEXES FOR OPHTHALMIC ACTIVE PHARMACEUTICAL INGREDIENT DELIVERY OCULIS EHF (IS) 2018-06-07 WO claimed
EP-2854531-A1 STABILIZED FORMULATIONS CONTAINING IODINATED CONTRAST AGENTS AND CYCLODEXTRINS Verrow Pharmaceuticals, Inc. (US) 2015-04-08 EP claimed
US-20140377185-A9 STABILIZED FORMULATIONS CONTAINING IODINATED CONTRAST AGENTS AND CYCLODEXTRINS VERROW PHARMACEUTICALS, INC. (US) 2014-12-25 US claimed
WO-2013180777-A1 STABILIZED FORMULATIONS CONTAINING IODINATED CONTRAST AGENTS AND CYCLODEXTRINS VERROW PHARMACEUTICALS, INC. (US) 2013-12-05 WO claimed
US-20130323181-A1 STABILIZED FORMULATIONS CONTAINING IODINATED CONTRAST AGENTS AND CYCLODEXTRINS VERROW PHARMACEUTICALS, INC. (US) 2013-12-05 US claimed
WO-2011088503-A1 ANAESTHETIC FORMULATION GOODCHILD INVESTMENTS PTY LTD (AU) 2011-07-28 WO claimed
US-20220096664-A1 STABILIZED FORMULATIONS CONTAINING IODINATED CONTRAST AGENTS AND CYCLODEXTRINS VERROW PHARMACEUTICALS, INC. 2022-03-31 US disclosed
EP-3548091-A1 PREPARATION OF SOLID CYCLODEXTRIN COMPLEXES FOR OPHTHALMIC ACTIVE PHARMACEUTICAL INGREDIENT DELIVERY Oculis SA (CH) 2019-10-09 EP disclosed
WO-2018100434-A1 PREPARATION OF SOLID CYCLODEXTRIN COMPLEXES FOR OPHTHALMIC ACTIVE PHARMACEUTICAL INGREDIENT DELIVERY OCULIS EHF (IS) 2018-06-07 WO disclosed
EP-2854531-A1 STABILIZED FORMULATIONS CONTAINING IODINATED CONTRAST AGENTS AND CYCLODEXTRINS Verrow Pharmaceuticals, Inc. (US) 2015-04-08 EP disclosed
US-20140377185-A9 STABILIZED FORMULATIONS CONTAINING IODINATED CONTRAST AGENTS AND CYCLODEXTRINS VERROW PHARMACEUTICALS, INC. (US) 2014-12-25 US disclosed
CN-102596178-B Liposomes having an internal aqueous phase of sulfobutyl ether cyclodextrin salt CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY SHIJIAZHUAN 2014-12-03 CN disclosed
WO-2013180777-A1 STABILIZED FORMULATIONS CONTAINING IODINATED CONTRAST AGENTS AND CYCLODEXTRINS VERROW PHARMACEUTICALS, INC. (US) 2013-12-05 WO disclosed
US-20130323181-A1 STABILIZED FORMULATIONS CONTAINING IODINATED CONTRAST AGENTS AND CYCLODEXTRINS VERROW PHARMACEUTICALS, INC. (US) 2013-12-05 US disclosed
CN-102596178-A Liposomes having an internal aqueous phase of sulfobutyl ether cyclodextrin salt CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY SHIJIAZHUANG CO LTD 2012-07-18 CN disclosed
US-8192721-B2 Compositions useful for reducing toxicity associated with gadolinium-based contrast agents VERROW PHARMACEUTICALS, INC. (US) 2012-06-05 US disclosed
WO-2011088503-A1 ANAESTHETIC FORMULATION GOODCHILD INVESTMENTS PTY LTD (AU) 2011-07-28 WO disclosed
US-20090155181-A1 Compositions Useful for Reducing Toxicity Associated with Gadolinium-based Contrast Agents VERROW PHARMACEUTICALS, INC. (US) 2009-06-18 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 (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-20140377185-A9 STABILIZED FORMULATIONS CONTAINING IODINATED CONTRAST AGENTS AND CYCLODEXTRINS ARRB1, GPR119, DSC1 ALDH1A1 4184/4885TSHR 534/4885LMNA 2021/4885
US-20220096664-A1 STABILIZED FORMULATIONS CONTAINING IODINATED CONTRAST AGENTS AND CYCLODEXTRINS ARRB1, GPR119, DSC1 ALDH1A1 4184/4885TSHR 534/4885LMNA 2021/4885
US-20130323181-A1 STABILIZED FORMULATIONS CONTAINING IODINATED CONTRAST AGENTS AND CYCLODEXTRINS ARRB1, GPR119, DSC1 ALDH1A1 4184/4885TSHR 534/4885LMNA 2021/4885

“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.