SCHEMBL771782

SCHEMBL771782

CCCCCCCCCCCCCCCCCCCCCCCCCCCCOS(=O)(=O)OCCCCCCCCCCCCCCCCCCCCCCCCCCCC

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 15/20 0.67
▸ CA2 P00918 15/20 0.67
▸ CA9 Q16790 13/20 0.67
▸ CA12 O43570 4/20 0.67
▸ CA7 P43166 4/20 0.67
▸ CA14 Q9ULX7 4/20 0.67
▸ CA3 P07451 3/20 0.67
▸ CA4 P22748 3/20 0.67
▸ CA6 P23280 3/20 0.67
▸ CA5A P35218 3/20 0.67
▸ CA5B Q9Y2D0 3/20 0.67
▸ RECQL P46063 2/20 0.64
▸ TSHR P16473 2/20 0.64
▸ GLA P06280 1/20 0.64
▸ HPGD P15428 1/20 0.64
▸ MAPK1 P28482 1/20 0.64
▸ EPHX2 P34913 1/20 0.64
▸ BLM P54132 1/20 0.64
▸ KDM4E B2RXH2 1/20 0.48
▸ USP2 O75604 1/20 0.48

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
SCHEMBL364864 1.00 CA1 (0.67) CA1CA2CA9CA12CA7
SCHEMBL9097777 1.00 CA1 (0.67) CA1CA2CA9CA12CA7
SCHEMBL456239 1.00 CA1 (0.67) CA1CA2CA9CA12CA7
SCHEMBL5718521 1.00 CA1 (0.67) CA1CA2CA9CA12CA7
SCHEMBL1459889 1.00 CA1 (0.67) CA1CA2CA9CA12CA7
SCHEMBL10725960 1.00 CA1 (0.67) CA1CA2CA9CA12CA7
SCHEMBL5710133 1.00 CA1 (0.67) CA1CA2CA9CA12CA7
SCHEMBL185576 1.00 CA1 (0.67) CA1CA2CA9CA12CA7
SCHEMBL17336074 1.00 CA1 (0.67) CA1CA2CA9CA12CA7
SCHEMBL44522 1.00 CA1 (0.67) CA1CA2CA9CA12CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015191686-A1 METHODS OF ADMINISTERING METHYLNALTREXONE SALIX PHARMACEUTICALS, INC. (US) 2015-12-17 — — WO claimed
US-20230181571-A1 USE OF METHYLNALTREXONE TO ATTENUATE TUMOR PROGRESSION SALIX PHARMACEUTICALS, INC. (US) 2023-06-15 — — US disclosed
US-20230149389-A1 METHODS OF REDUCING MORTALITY IN SUBJECTS SUFFERING FROM AN UNDERLYING DISEASE OR CONDITION BY ADMINISTRATION OF METHYLNALTREXONE BAUSCH HEALTH IRELAND LIMITED (IE) 2023-05-18 — — US disclosed
EP-4142727-A1 METHODS OF REDUCING MORTALITY RISK IN SUBJECTS SUFFERING FROM AN UNDERLYING DISEASE OR CONDITION BY ADMINISTRATION OF METHYLNALTREXONE Bausch Health Ireland Limited (IE) 2023-03-08 — — EP disclosed
WO-2022260433-A1 ORGANIC LAYER POLISHING COMPOSITION AND METHOD FOR POLISHING USING SAME 주식회사 동진쎄미켐 2022-12-15 — — WO disclosed
US-20220175764-A1 USE OF METHYLNALTREXONE AND RIFAXIMIN FOR TREATMENT OF INCREASED GUT PERMEABILITY OR ASSOCIATED DISORDERS BAUSCH HEALTH IRELAND LIMITED (IE) 2022-06-09 — — US disclosed
WO-2021224138-A1 METHODS OF REDUCING MORTALITY RISK IN SUBJECTS SUFFERING FROM AN UNDERLYING DISEASE OR CONDITION BY ADMINISTRATION OF METHYLNALTREXONE BAUSCH HEALTH IRELAND LIMITED (IE) 2021-11-11 — — WO disclosed
EP-3178472-B1 ORAL FORMULATIONS OF METHYLNALTREXONE WYETH LLC (US) 2021-10-27 — — EP disclosed
CN-107308125-B Oral formulations and lipophilic salts of methylnaltrexone 惠氏有限责任公司 2021-07-16 — — CN disclosed
US-20210121456-A1 USE OF METHYLNALTREXONE TO ATTENUATE TUMOR PROGRESSION SALIX PHARMACEUTICALS, INC. (US) 2021-04-29 — — US disclosed
US-8956651-B2 Oral formulations and lipophilic salts of methylnal trexone WYETH, LLC (US) 2015-02-17 — — US disclosed
EP-2793888-A1 METHODS FOR TREATMENT AND PREVENTION OF OPIOID INDUCED CONSTIPATION USING ORAL COMPOSITIONS OF METHYLNALTREXONE Salix Pharmaceuticals, Ltd. (US) 2014-10-29 — — EP disclosed
US-20140249171-A1 ORAL FORMULATIONS AND LIPOPHILIC SALTS OF METHYLNALTREXONE WYETH, LLC (US) 2014-09-04 — — US disclosed
US-20130330407-A1 ORAL FORMULATIONS AND LIPOPHILIC SALTS OF METHYLNALTREXONE WYETH, LLC (US) 2013-12-12 — — US disclosed
US-20130317050-A1 METHODS FOR TREATMENT AND PREVENTION OF OPIOID INDUCED CONSTIPATION USING ORAL COMPOSITIONS OF METHYLNALTREXONE MEDICIS PHARMACEUTICAL CORPORATION 2013-11-28 — — US disclosed
US-8524276-B2 Oral formulations and lipophilic salts of methylnaltrexone WYETH, LLC (US) 2013-09-03 — — US disclosed
WO-2013096444-A1 METHODS FOR TREATMENT AND PREVENTION OF OPIOID INDUCED CONSTIPATION USING ORAL COMPOSITIONS OF METHYLNALTREXONE SALIX PHARMACEUTICALS, LTD. (US) 2013-06-27 — — WO disclosed
US-20120070495-A1 ORAL FORMULATIONS AND LIPOPHILIC SALTS OF METHYLNALTREXONE WYETH LLC (US) 2012-03-22 — — US disclosed
EP-2371357-A1 Oral formulations and lipophilic salts of methylnaltrexone Wyeth LLC (US) 2011-10-05 — — EP disclosed
WO-2011112816-A1 ORAL FORMULATIONS AND LIPOPHILIC SALTS OF METHYLNALTREXONE WYETH, LLC (US) 2011-09-15 — — 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 (8 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-20120070495-A1 ORAL FORMULATIONS AND LIPOPHILIC SALTS OF METHYLNALTREXONE OPRL1, OPRM1, OPRK1 CA1 3999/4885CA2 3378/4885CA9 3764/4885
US-20230181571-A1 USE OF METHYLNALTREXONE TO ATTENUATE TUMOR PROGRESSION MTNR1A, OPRL1, OPRK1 CA1 2143/4885CA2 2836/4885CA9 2604/4885
US-20140249171-A1 ORAL FORMULATIONS AND LIPOPHILIC SALTS OF METHYLNALTREXONE OPRL1, OPRM1, OPRK1 CA1 3999/4885CA2 3378/4885CA9 3764/4885
US-20230149389-A1 METHODS OF REDUCING MORTALITY IN SUBJECTS SUFFERING FROM AN UNDERLYING DISEASE OR CONDITION BY ADMINISTRATION OF METHYLNALTREXONE SLC10A2, OPRL1, OGFR CA1 1744/4885CA2 911/4885CA9 3200/4885
US-20220175764-A1 USE OF METHYLNALTREXONE AND RIFAXIMIN FOR TREATMENT OF INCREASED GUT PERMEABILITY OR ASSOCIATED DISORDERS SLC10A2, SLC10A1, NR1H4 CA1 4733/4885CA2 3899/4885CA9 3874/4885
US-20130317050-A1 METHODS FOR TREATMENT AND PREVENTION OF OPIOID INDUCED CONSTIPATION USING ORAL COMPOSITIONS OF METHYLNALTREXONE OPRK1, OPRM1, OPRL1 CA1 2489/4885CA2 2498/4885CA9 2846/4885
US-20210121456-A1 USE OF METHYLNALTREXONE TO ATTENUATE TUMOR PROGRESSION MTNR1A, OPRL1, OPRK1 CA1 2143/4885CA2 2836/4885CA9 2604/4885
US-20130330407-A1 ORAL FORMULATIONS AND LIPOPHILIC SALTS OF METHYLNALTREXONE OPRL1, OPRM1, OPRK1 CA1 3999/4885CA2 3378/4885CA9 3764/4885

“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.

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