SCHEMBL4872178

SCHEMBL4872178

N[C@H](CS(=O)(=O)O)C(=O)O.[KH]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.44
SLC7A11 Q9UPY5 1/20 0.44
PMP22 Q01453 2/20 0.43
KYNU Q16719 2/20 0.43
NOS2 P35228 1/20 0.43
GCLC P48506 1/20 0.41
SLC1A1 P43005 4/20 0.41
SLC1A3 P43003 3/20 0.41
SLC1A2 P43004 3/20 0.41
GSR P00390 2/20 0.41
GRIK1 P39086 2/20 0.41
GRIK2 Q13002 2/20 0.41
GRM1 Q13255 2/20 0.41
GRM2 Q14416 2/20 0.41
SLC7A5 Q01650 1/20 0.41
GRM8 O00222 1/20 0.41
GRM6 O15303 1/20 0.41
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL22720617 1.00 PTGS1 (0.44) PTGS1SLC7A11PMP22KYNUNOS2
SCHEMBL180559 0.97 PTGS1 (0.46) PTGS1SLC7A11PMP22KYNUNOS2
SCHEMBL21518548 0.97 PTGS1 (0.46) PTGS1SLC7A11PMP22KYNUNOS2
SCHEMBL44030 0.97 PTGS1 (0.46) PTGS1SLC7A11PMP22KYNUNOS2
SCHEMBL44031 0.97 PTGS1 (0.46) PTGS1SLC7A11PMP22KYNUNOS2
SCHEMBL30600100 0.97 PTGS1 (0.46) PTGS1SLC7A11PMP22KYNUNOS2
SCHEMBL1395227 0.97 PTGS1 (0.46) PTGS1SLC7A11PMP22KYNUNOS2
Ethylene SCHEMBL8819545 0.95 PTGS1 (0.41) PTGS1SLC7A11PMP22KYNUNOS2
SCHEMBL6570277 0.95 PTGS1 (0.44) PTGS1SLC7A11PMP22KYNUNOS2
SCHEMBL5046067 0.95 PTGS1 (0.44) PTGS1SLC7A11PMP22KYNUNOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7375246-B2 Sulfhydral containing compounds and methods of using the same REGENESIS BIOREMEDIATION PRODUCTS INC. (US) 2008-05-20 US disclosed
US-20050148712-A1 Polyol esters of sulfhydryl carboxylic acids; treating water and water-containing soils contaminated with metal FARONE WILLIAM A (US) 2005-07-07 US disclosed
US-6846947-B2 Sulfhydral containing compounds and methods of using same REGENESIS BIOREMEDIATION PRODUCTS, INC. (US) 2005-01-25 US disclosed
US-20040157316-A1 Sulfhydral containing compounds and methods of using same REGENESIS 2004-08-12 US disclosed
US-20040158095-A1 Sulfhydral containing compounds and methods of using same REGENESIS, INC. 2004-08-12 US disclosed
US-6733651-B1 Method for producing a cyanide-free solution of a gold compound that is suitable for galvanic gold baths W. C. HERAEUS GMBH & CO. KG (DE) 2004-05-11 US 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 (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-20040158095-A1 Sulfhydral containing compounds and methods of using same TST, QSOX1, CTH PTGS1 285/4885SLC7A11 90/4885PMP22 1898/4885

“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.