SCHEMBL4872186

SCHEMBL4872186

NC(CS)C(=O)OC(CO)CO

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.44
SLC7A11 Q9UPY5 1/20 0.44
PRKCA P17252 2/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
ENPEP Q07075 4/20 0.31
ANPEP P15144 2/20 0.30
SLC1A1 P43005 1/20 0.30

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
SCHEMBL3396294 0.96 PTGS1 (0.44) PTGS1SLC7A11PRKCAENPEPANPEP
SCHEMBL14181781 0.81 PTGS1 (0.43) PTGS1SLC7A11ENPEP
SCHEMBL5904020 0.79
SCHEMBL28437975 0.79
SCHEMBL4289715 0.79 PRKCA (0.42) PTGS1SLC7A11PRKCAENPEPANPEP
SCHEMBL9615036 0.79 PTGS1 (0.42) PTGS1SLC7A11PRKCAENPEPSLC1A1
SCHEMBL15392085 0.78 MAPT (0.41) PRKCAMAPTMAPK1SLC1A1
SCHEMBL2159497 0.78 PTGS1 (0.40) PTGS1SLC7A11
SCHEMBL9384783 0.77 PTGS1 (0.48) PTGS1SLC7A11ENPEPANPEP
SCHEMBL5055049 0.76 PTGS1 (0.39) PTGS1SLC7A11ENPEP

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 3 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 claimed
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 claimed
US-20040158095-A1 Sulfhydral containing compounds and methods of using same REGENESIS, INC. 2004-08-12 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-20040158095-A1 Sulfhydral containing compounds and methods of using same TST, QSOX1, CTH PTGS1 285/4885SLC7A11 90/4885PRKCA 3848/4885

“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.