SCHEMBL9200531

SCHEMBL9200531

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 6/20 0.35
NOS1 P29475 4/20 0.35
NOS3 P29474 3/20 0.35
KMT2A Q03164 2/20 0.33
ALOX15 P16050 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
GRIK1 P39086 1/20 0.32
GRIK2 Q13002 1/20 0.32
GRM1 Q13255 1/20 0.32
GRM2 Q14416 1/20 0.32
PTGS1 P23219 1/20 0.32
SLC7A11 Q9UPY5 1/20 0.32
ARG1 P05089 1/20 0.31
ARG2 P78540 1/20 0.31
EPHX1 P07099 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL4922558 1.00 NOS2 (0.35) NOS2NOS1NOS3KMT2AALOX15
SCHEMBL4922553 1.00 NOS2 (0.35) NOS2NOS1NOS3KMT2AALOX15
Hydrochloric Acid SCHEMBL14831358 0.97 NOS2 (0.34) NOS2NOS1NOS3KMT2AALOX15
Hydrochloric Acid SCHEMBL14831359 0.97 NOS2 (0.34) NOS2NOS1NOS3KMT2AALOX15
Hydrochloric Acid SCHEMBL22290093 0.97 NOS2 (0.34) NOS2NOS1NOS3KMT2AALOX15
Hydrochloric Acid SCHEMBL4141642 0.97 NOS2 (0.34) NOS2NOS1NOS3KMT2AALOX15
Hydrochloric Acid SCHEMBL4141639 0.97 NOS2 (0.34) NOS2NOS1NOS3KMT2AALOX15
Hydrochloric Acid SCHEMBL22290092 0.97 NOS2 (0.34) NOS2NOS1NOS3KMT2AALOX15
SCHEMBL9703082 0.90 NOS2 (0.47) NOS2NOS1NOS3KMT2AALOX15
SCHEMBL29008680 0.90 NOS2 (0.47) NOS2NOS1NOS3KMT2AALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-4004541-A1 ERGOTHIONEINE, S-METHYL-ERGOTHIONEINE, AND USES THEREOF Fundació Institut d'Investigació Biomèdica de Bellvitge (IDIBELL) (ES) 2022-06-01 EP claimed
CN-114269722-A Ergothioneine, S-methyl-ergothioneine and uses thereof 贝尔维奇生物医学研究所(伊迪贝尔) 2022-04-01 CN 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
EP-0378432-B1 Novel peptides, their use to inhibit the maturation of t-lymphocytes and the activity of macrophages, and processes for their preparation RICHTER GEDEON VEGYESZET (HU) 1995-04-05 EP claimed
EP-0378432-A2 Novel peptides, their use to inhibit the maturation of t-lymphocytes and the activity of macrophages, and processes for their preparation RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1990-07-18 EP claimed
US-12486241-B2 Cystine diamide analogs for cystinuria RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2025-12-02 US disclosed
US-12391661-B2 Cystine diamide analogs for the prevention of cystine stone formation in cystinuria RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2025-08-19 US disclosed
US-20230043330-A1 Cystine Diamide Analogs For Cystinuria RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2023-02-09 US disclosed
US-20230002337-A1 CYSTINE DIAMIDE ANALOGS FOR THE PREVENTION OF CYSTINE STONE FORMATION IN CYSTINURIA RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2023-01-05 US disclosed
US-20230002337-A1 CYSTINE DIAMIDE ANALOGS FOR THE PREVENTION OF CYSTINE STONE FORMATION IN CYSTINURIA RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2023-01-05 US disclosed
EP-4072537-A1 CYSTINE DIAMIDE ANALOGS FOR CYSTINURIA Rutgers, the State University of New Jersey (US) 2022-10-19 EP disclosed
CN-115103669-A Cystine diamide analogs for cystinuria 新泽西鲁特格斯州立大学 2022-09-23 CN disclosed
US-9428453-B2 Cystine diamide analogs for the prevention of cystine stone formation in cystinuria RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-08-30 US disclosed
US-9428453-B2 Cystine diamide analogs for the prevention of cystine stone formation in cystinuria RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-08-30 US disclosed
US-20140187546-A1 Cystine Diamide Analogs for the Prevention of Cystine Stone Formation in Cystinuria RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2014-07-03 US disclosed
US-20140187546-A1 Cystine Diamide Analogs for the Prevention of Cystine Stone Formation in Cystinuria RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2014-07-03 US disclosed
EP-0378432-B1 Novel peptides, their use to inhibit the maturation of t-lymphocytes and the activity of macrophages, and processes for their preparation RICHTER GEDEON VEGYESZET (HU) 1995-04-05 EP disclosed
US-5093320-A Immunosuppressants RICHTER GEDEON VEGYESZETI GYAR R. T. (HU) 1992-03-03 US disclosed
EP-0378432-A2 Novel peptides, their use to inhibit the maturation of t-lymphocytes and the activity of macrophages, and processes for their preparation RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1990-07-18 EP 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 (6 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-12486241-B2 Cystine diamide analogs for cystinuria CTH, CBS, SLC7A11 NOS2 1945/4885NOS1 1583/4885NOS3 1505/4885
US-20140187546-A1 Cystine Diamide Analogs for the Prevention of Cystine Stone Formation in Cystinuria CTH, CBS, SLC6A12 NOS2 1102/4885NOS1 949/4885NOS3 827/4885
US-20220265611-A1 ERGOTHIONEINE, S-METHYL-ERGOTHIONEINE, AND USES THEREOF BHMT2, GNMT, BHMT NOS2 1750/4885NOS1 1773/4885NOS3 1545/4885
US-12391661-B2 Cystine diamide analogs for the prevention of cystine stone formation in cystinuria CTH, CBS, SLC6A12 NOS2 1102/4885NOS1 949/4885NOS3 827/4885
US-20230002337-A1 CYSTINE DIAMIDE ANALOGS FOR THE PREVENTION OF CYSTINE STONE FORMATION IN CYSTINURIA CTH, CBS, SLC6A12 NOS2 1102/4885NOS1 949/4885NOS3 827/4885
US-20230043330-A1 Cystine Diamide Analogs For Cystinuria CTH, CBS, SLC7A11 NOS2 1945/4885NOS1 1583/4885NOS3 1505/4885

“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.