SCHEMBL4782837

SCHEMBL4782837

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 1/20 0.40
ARG2 P78540 1/20 0.40
NOS2 P35228 3/20 0.40
NOS1 P29475 2/20 0.40
NOS3 P29474 1/20 0.40
PTGS1 P23219 1/20 0.38
SLC7A11 Q9UPY5 1/20 0.38
GRIK1 P39086 5/20 0.38
GRIK2 Q13002 5/20 0.38
GRM1 Q13255 2/20 0.38
GRM2 Q14416 2/20 0.38
ALOX15 P16050 2/20 0.37
ALDH1A1 P00352 1/20 0.37
KIF11 P52732 3/20 0.36
DNMT1 P26358 1/20 0.36
SLC7A5 Q01650 1/20 0.35
GRM8 O00222 1/20 0.35
GRM6 O15303 1/20 0.35
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35

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
SCHEMBL15024999 1.00 ARG1 (0.40) ARG1ARG2NOS2NOS1NOS3
SCHEMBL23627794 1.00 ARG1 (0.40) ARG1ARG2NOS2NOS1NOS3
Cystine SCHEMBL15844714 0.85 ARG1 (0.44) ARG1ARG2NOS2NOS1NOS3
Cystine SCHEMBL1983072 0.84 PTGS1 (0.52) ARG1ARG2NOS2NOS1NOS3
Cystine SCHEMBL7442337 0.84 PTGS1 (0.52) ARG1ARG2NOS2NOS1NOS3
Cystine SCHEMBL27890268 0.84 PTGS1 (0.52) ARG1ARG2NOS2NOS1NOS3
Cystine SCHEMBL8332360 0.84 PTGS1 (0.50) ARG1ARG2NOS2NOS1NOS3
Cystine SCHEMBL10224 0.84 PTGS1 (0.50) ARG1ARG2NOS2NOS1NOS3
Cystine SCHEMBL21114356 0.84 PTGS1 (0.50) ARG1ARG2NOS2NOS1NOS3
Cystine SCHEMBL5018669 0.84 PTGS1 (0.50) ARG1ARG2NOS2NOS1NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119139329-A Preparation of brinzdofovir 应急生物防御行动兰辛有限责任公司 2024-12-17 CN disclosed
CN-118416082-A Preparation of brinzdofovir 应急生物防御行动兰辛有限责任公司 2024-08-02 CN disclosed
US-20080153891-A1 SYNERGISTIC ANTI-CANCER COMPOSITIONS THE ARIZONA BOARD OF REGENTS (US) 2008-06-26 US disclosed
US-20080146653-A1 SYNERGISTIC ANTI-CANCER COMPOSITIONS THE ARIZONA BOARD OF REGENTS (US) 2008-06-19 US disclosed
WO-2008063778-A2 SYNERGISTIC COMBINATIONS OF ANTINEOPLASTIC THIOL-BINDING MITOCHONDRIAL OXIDANTS AND ANTINEOPLASTIC CORTICOSTERIODS FOR THE TREATMENT OF CANCER THE ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2008-05-29 WO disclosed
WO-2008033807-A2 SYNERGISTIC COMBINATIONS OF ANTINEOPLASTIC THIOL-BINDING MITOCHONDRIAL OXIDANTS AND ANTINEOPLASTIC PROTEASOME INHIBITORS FOR THE TREATMENT OF CANCER THE ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2008-03-20 WO disclosed
CN-1889943-A Synergistic anti-cancer compounds UNIV ARIZONA (US) 2007-01-03 CN disclosed
EP-1691801-A2 SYNERGISTIC ANTI-CANCER COMPOSITIONS The Arizona Board of Regents on Behalf of the University of Arizona (US) 2006-08-23 EP disclosed
US-20050176696-A1 Synergistic anit-cancer compounds REGENTS OF THE UNIVERSITY OF ARIZONA (US) 2005-08-11 US disclosed
WO-2005055952-A2 SYNERGISTIC ANTI-CANCER COMPOSITIONS THE ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2005-06-23 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 (3 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-20080153891-A1 SYNERGISTIC ANTI-CANCER COMPOSITIONS POLRMT, SSBP1, TK2 ARG1 4003/4885ARG2 471/4885NOS2 3114/4885
US-20080146653-A1 SYNERGISTIC ANTI-CANCER COMPOSITIONS POLRMT, SSBP1, TK2 ARG1 4003/4885ARG2 471/4885NOS2 3114/4885
US-20050176696-A1 Synergistic anit-cancer compounds POLRMT, SSBP1, DDIT3 ARG1 3209/4885ARG2 393/4885NOS2 1674/4885

“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.