SCHEMBL2298043

SCHEMBL2298043

CC(=O)N[C@@H](CS)C(=O)OOC(=O)[C@H](CS)NC(C)=O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.63
▸ MAPT P10636 1/20 0.63
▸ THRB P10828 1/20 0.63
▸ ALOX15 P16050 1/20 0.63
▸ NFKB1 P19838 1/20 0.63
▸ PTGS2 P35354 1/20 0.63
▸ THPO P40225 1/20 0.63
▸ RECQL P46063 1/20 0.63
▸ BLM P54132 1/20 0.63
▸ SMN1; SMN2 Q16637 1/20 0.63
▸ ALDH1A1 P00352 1/20 0.41
▸ ACE P12821 1/20 0.38
▸ FNTA P49354 1/20 0.33
▸ FNTB P49356 1/20 0.33
▸ TACR1 P25103 2/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA3 P07451 1/20 0.33
▸ CA4 P22748 1/20 0.33

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
SCHEMBL7999598 0.87 KDM4E (0.63) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL5599294 0.87 KDM4E (0.63) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL112332 0.87 SMN1; SMN2 (0.63) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL112331 0.87 SMN1; SMN2 (0.63) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL7999610 0.87 KDM4E (0.63) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL14088106 0.87 SMN1; SMN2 (0.63) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL23870628 0.85 KDM4E (0.61) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL7758252 0.85 KDM4E (0.61) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL6815850 0.85 KDM4E (0.61) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL16011717 0.83 KDM4E (0.59) KDM4EMAPTTHRBALOX15NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150209434-A1 MUCOADHESIVE POLYMERS HAVING VITAMIN B PARTIAL STRUCTURES THIOMATRIX FORSCHUNGS UND BERATUNGS GMBH (AT) 2015-07-30 — — US claimed
US-20140235717-A1 FOOD PRODUCTS, PREPARATION, AND THERAPEUTIC METHODS SCHLOSS JOHN V (US) 2014-08-21 — — US claimed
US-20120322868-A1 FOOD PRODUCTS, PREPARATION, AND THERAPEUTIC METHODS SCHLOSS JOHN V (US) 2012-12-20 — — US claimed
WO-2011103577-A1 IMPROVED FOOD PRODUCTS, PREPARATION, AND THERAPEUTIC METHODS SCHLOSS JOHN V (US) 2011-08-25 — — WO claimed
CN-110088118-B Crystal of glutathione trisulfide dihydrate and method for producing same 协和发酵生化株式会社 2023-04-04 — — CN disclosed
US-11186610-B2 Crystal of glutathione trisulfide dihydrate and method for producing same KYOWA HAKKO BIO CO., LTD. (JP) 2021-11-30 — — US disclosed
US-20200079818-A1 CRYSTAL OF GLUTATHIONE TRISULFIDE DIHYDRATE AND METHOD FOR PRODUCING SAME KYOWA HAKKO BIO CO., LTD. (JP) 2020-03-12 — — US disclosed
EP-3560947-A1 CRYSTALS OF GLUTATHIONE TRISULFIDE DIHYDRATE AND METHOD OF PRODUCING SAME Kyowa Hakko Bio Co., Ltd. (JP) 2019-10-30 — — EP disclosed
EP-3429573-A1 COMPOSITIONS FOR CONTROLLED RELEASE OF CYSTEAMINE AND SYSTEMIC TREATMENT OF CYSTEAMINE SENSITIVE DISORDERS Thiogenesis Therapeutics, Inc. (US) 2019-01-23 — — EP disclosed
WO-2017161318-A1 COMPOSITIONS FOR CONTROLLED RELEASE OF CYSTEAMINE AND SYSTEMIC TREATMENT OF CYSTEAMINE SENSITIVE DISORDERS THIOGENESIS THERAPEUTICS, INC. (US) 2017-09-21 — — WO disclosed
US-8975283-B2 Pharmacologically active compounds containing sulfur JON PTY LIMITED (AU) 2015-03-10 — — US disclosed
EP-2664614-A1 PALLADIUM-COPPER CATALYSTS FOR THE HOMOGENEOUS SELECTIVE OXIDATION OF THIOL GROUPS "Ivy Pharm" Limited Liability Company (RU) 2013-11-20 — — EP disclosed
US-20130289108-A1 Palladium-Copper Catalysts for the Homogeneous Selective Oxidation of Thiol Groups "IVY PHARM" LIMITED LIABILITY COMPANY (RU) 2013-10-31 — — US disclosed
US-20130123504-A1 PHARMACOLOGICALLY ACTIVE COMPOUNDS CONTAINING SULFUR JON PTY LIMITED (AU) 2013-05-16 — — US disclosed
US-8362041-B2 Pharmacologically active compounds containing sulfur JON PTY LIMITED (AU) 2013-01-29 — — US disclosed
US-20090042947-A1 PHARMACOLOGICALLY ACTIVE COMPOUNDS CONTAINING SULFUR JON PTY LIMITED (AU) 2009-02-12 — — US disclosed
WO-2007056817-A1 PHARMACOLOGICALLY ACTIVE COMPOUNDS CONTAINING SULFUR JON PTY LIMITED (AU) 2007-05-24 — — WO disclosed
US-5346599-A Monitoring extent of disease associated with abnormal levels of nitric oxide, nitrosonium or nitroxyl BRIGHAM AND WOMEN'S HOSPITAL 1994-09-13 — — US disclosed
WO-1994017398-A1 CAPILLARY ZONE ELECTROPHORESIS OF THIOLS AND THEIR DERIVATIVES BRIGHAM AND WOMEN'S HOSPITAL (US) 1994-08-04 — — 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-20130123504-A1 PHARMACOLOGICALLY ACTIVE COMPOUNDS CONTAINING SULFUR SCLY, STS, SQOR KDM4E 4559/4885MAPT 4757/4885THRB 1853/4885
US-20130289108-A1 Palladium-Copper Catalysts for the Homogeneous Selective Oxidation of Thiol Groups SOD1, SOD3, GSTM2 KDM4E 4042/4885MAPT 3337/4885THRB 2817/4885
US-20120322868-A1 FOOD PRODUCTS, PREPARATION, AND THERAPEUTIC METHODS SLC7A11, CTH, GNMT KDM4E 2841/4885MAPT 1234/4885THRB 98/4885
US-20090042947-A1 PHARMACOLOGICALLY ACTIVE COMPOUNDS CONTAINING SULFUR SCLY, STS, SQOR KDM4E 4696/4885MAPT 4684/4885THRB 1730/4885
US-20140235717-A1 FOOD PRODUCTS, PREPARATION, AND THERAPEUTIC METHODS SLC7A11, CTH, GNMT KDM4E 2841/4885MAPT 1234/4885THRB 98/4885

“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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