SCHEMBL1815745

SCHEMBL1815745

COC(=O)[C@@H](N)CSSC[C@H](N)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.42
NOS2 P35228 3/20 0.42
NOS1 P29475 2/20 0.42
NOS3 P29474 1/20 0.42
SLC1A1 P43005 2/20 0.40
ARG1 P05089 1/20 0.39
ARG2 P78540 1/20 0.39
SLC7A5 Q01650 1/20 0.39
GFPT1 Q06210 1/20 0.39
ITGB1 P05556 1/20 0.37
ITGA4 P13612 1/20 0.37
PTGS1 P23219 1/20 0.37
SLC7A11 Q9UPY5 1/20 0.37
GRIK1 P39086 1/20 0.36
GRIK2 Q13002 1/20 0.36
GRM1 Q13255 1/20 0.36
GRM2 Q14416 1/20 0.36

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
SCHEMBL12438513 1.00 KIF11 (0.42) KIF11NOS2NOS1NOS3SLC1A1
SCHEMBL1815741 1.00 KIF11 (0.42) KIF11NOS2NOS1NOS3SLC1A1
SCHEMBL160075 1.00 KIF11 (0.42) KIF11NOS2NOS1NOS3SLC1A1
SCHEMBL12438522 1.00 KIF11 (0.42) KIF11NOS2NOS1NOS3SLC1A1
SCHEMBL12438514 1.00 KIF11 (0.42) KIF11NOS2NOS1NOS3SLC1A1
Cystine SCHEMBL25390642 0.98 KIF11 (0.41) KIF11NOS2NOS1NOS3SLC1A1
Hydrochloric Acid SCHEMBL22290069 0.98 KIF11 (0.41) KIF11NOS2NOS1NOS3SLC1A1
Hydrochloric Acid SCHEMBL3315835 0.98 KIF11 (0.41) KIF11NOS2NOS1NOS3SLC1A1
Hydrochloric Acid SCHEMBL21611699 0.98 KIF11 (0.41) KIF11NOS2NOS1NOS3SLC1A1
Hydrochloric Acid SCHEMBL21611698 0.98 KIF11 (0.41) KIF11NOS2NOS1NOS3SLC1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118580167-A Benzenesulfonyl shikonin derivative and synthetic method and application thereof 南京大学 2024-09-03 CN claimed
CN-116162255-A Charge-convertible dendrimer and preparation method thereof 东莞理工学院 2023-05-26 CN claimed
US-20220265611-A1 ERGOTHIONEINE, S-METHYL-ERGOTHIONEINE, AND USES THEREOF Consorcio Centro de Investigación Biomédica en Red, M.P. (ES) 2022-08-25 US claimed
CN-114907546-A Multifunctional polyurea acid ester derivative and preparation method and application thereof 四川大学 2022-08-16 CN claimed
CN-114716635-A Multifunctional polyurea-amino acid derivative and preparation method and application thereof 四川大学 2022-07-08 CN claimed
EP-4004541-A1 ERGOTHIONEINE, S-METHYL-ERGOTHIONEINE, AND USES THEREOF Fundació Institut d'Investigació Biomèdica de Bellvitge (IDIBELL) (ES) 2022-06-01 EP claimed
WO-2021018774-A1 ERGOTHIONEINE, S-METHYL-ERGOTHIONEINE, AND USES THEREOF FUNDACIÓ INSTITUT D'INVESTIGACIÓ BIOMÈDICA DE BELLVITGE (IDIBELL) (ES) 2021-02-04 WO claimed
CN-108524446-B Functional pharmaceutical composition 朱瑞国 2020-05-08 CN claimed
CN-108542882-B Application of functional pharmaceutical composition 陈勇 2020-04-17 CN claimed
CN-109651503-A A kind of preparation method and application of artificial antigen 天津国际生物医药联合研究院 2019-04-19 CN claimed
CN-103818924-A Preparation method of titanium-silicon molecular sieve and application CHINA TIANCHEN ENG CORP 2014-05-28 CN claimed
CN-103675066-A Preparation of sulfydryl graphene modified electrode and trace heavy metal detection method thereof UNIV TIANJIN POLYTECHNIC 2014-03-26 CN claimed
US-8450089-B2 Compounds as L-cystine crystallization inhibitors and uses thereof NEW YORK UNIVERSITY (US) 2013-05-28 US claimed
EP-1874948-B1 Process for the production of y-glutamylcysteine NEWSOUTH INNOVATIONS PTY LTD (AU) 2013-03-20 EP claimed
US-8236533-B2 Process for the production of γ-glutamylcysteine NEWSOUTH INNOVATIONS PTY LIMITED (AU) 2012-08-07 US claimed
US-20090136993-A1 Process for the Production of Gamma-Glutamylcysteine NEWSOUTH INNOVATIONS PTY LIMITED 2009-05-28 US claimed
EP-1874948-A1 PROCESS FOR THE PRODUCTION OF y-GLUTAMYLCYSTEINE Newsouth Innovations Pty Limited (AU) 2008-01-09 EP claimed
WO-2006102722-A1 PROCESS FOR THE PRODUCTION OF Ϝ-GLUTAMYLCYSTEINE NEWSOUTH INNOVATIONS PTY LIMITED (AU) 2006-10-05 WO claimed
EP-0222380-B1 METHOD FOR STABILIZING CREATINE KINASE Roche Diagnostics GmbH (DE) 1993-03-17 EP claimed
US-4931392-A REACTING WITH DISULFIDE OR THIOSULFONATE AND CARBOHYDRATE BOEHRINGER MANNHEIM GMBH (DE) 1990-06-05 US claimed

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-20220265611-A1 ERGOTHIONEINE, S-METHYL-ERGOTHIONEINE, AND USES THEREOF BHMT2, GNMT, BHMT KIF11 3842/4885NOS2 1750/4885NOS1 1773/4885

“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.