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
SCHEMBL5599294 0.87 KDM4E (0.63) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL112331 0.87 SMN1; SMN2 (0.63) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL7999610 0.87 KDM4E (0.63) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL7999598 0.87 KDM4E (0.63) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL14088106 0.87 SMN1; SMN2 (0.63) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL112332 0.87 SMN1; SMN2 (0.63) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL23870628 0.85 KDM4E (0.61) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL6815850 0.85 KDM4E (0.61) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL7758252 0.85 KDM4E (0.61) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL122644 0.83 MAPT (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.