SCHEMBL17266136

SCHEMBL17266136

O=S(=O)(O)CCCNCO

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.44
EPHX2 P34913 1/20 0.37
PTGS1 P23219 1/20 0.36
PDE4A P27815 1/20 0.36
LMNA P02545 1/20 0.36
SLC6A6 P31641 1/20 0.36
CYP2C19 P33261 1/20 0.36
BLM P54132 1/20 0.36
MAOA P21397 1/20 0.31
MAOB P27338 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
SCHEMBL918312 0.87 APP (0.50) APPEPHX2PTGS1PDE4ALMNA
SCHEMBL901982 0.84
SCHEMBL2121438 0.84 APP (0.48) APPEPHX2PTGS1PDE4ALMNA
SCHEMBL917868 0.83 APP (0.42) APPEPHX2PTGS1PDE4ALMNA
SCHEMBL918374 0.83 APP (0.42) APPEPHX2PTGS1PDE4ALMNA
SCHEMBL918086 0.83 APP (0.42) APPEPHX2PTGS1PDE4ALMNA
SCHEMBL12541657 0.82 APP (0.46) APPEPHX2PTGS1PDE4ALMNA
SCHEMBL7108955 0.81 APP (0.50) APPEPHX2PTGS1PDE4ALMNA
SCHEMBL918521 0.81 APP (0.41) APPEPHX2PTGS1PDE4ALMNA
SCHEMBL917692 0.81 APP (0.41) APPEPHX2PTGS1PDE4ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170275248-A1 Carbondisulfide Derived Zwitterions TPAT IP LLC 2017-09-28 US disclosed
US-9676709-B2 Carbondisulfide derived zwitterions TPAT IP LLC 2017-06-13 US disclosed
US-20170129853-A1 Carbondisulfide Derived Zwitterions TPAT IP LLC 2017-05-11 US disclosed
US-9580385-B2 Carbondisulfide derived zwitterions TPAT IP LLC 2017-02-28 US disclosed
US-20150329486-A1 Carbondisulfide Derived Zwitterions TPAT IP LLC 2015-11-19 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 (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-20170129853-A1 Carbondisulfide Derived Zwitterions SRM, PKD1, SLC7A11 APP 4301/4885EPHX2 3568/4885PTGS1 3175/4885
US-20170275248-A1 Carbondisulfide Derived Zwitterions SRM, PKD1, SLC7A11 APP 4301/4885EPHX2 3568/4885PTGS1 3175/4885
US-20150329486-A1 Carbondisulfide Derived Zwitterions SRM, PKD1, SLC7A11 APP 4301/4885EPHX2 3568/4885PTGS1 3175/4885

“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.