SCHEMBL17058740

SCHEMBL17058740

CN(CCCO)CCS(=O)(=O)O

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 1/20 0.44
▸ APP P05067 1/20 0.34
▸ PTGS1 P23219 1/20 0.32
▸ PDE4A P27815 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ SLC6A6 P31641 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ BLM P54132 1/20 0.32
▸ LSS P48449 1/20 0.32
▸ CHRM2 P08172 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
SCHEMBL25199783 0.91 APP (0.39) LTA4HAPPPTGS1PDE4ALMNA
SCHEMBL23016833 0.89 APP (0.38) LTA4HAPPPTGS1PDE4ALMNA
SCHEMBL6115089 0.89 LTA4H (0.47) LTA4HAPPPTGS1PDE4ALMNA
SCHEMBL10985301 0.86 LTA4H (0.40) LTA4HAPPPTGS1PDE4ALMNA
SCHEMBL13439937 0.86 LTA4H (0.44) LTA4HAPPPTGS1PDE4ALMNA
SCHEMBL17058738 0.85 APP (0.38) LTA4HAPPPTGS1PDE4ALMNA
SCHEMBL16063018 0.85 APP (0.38) LTA4HAPPPTGS1PDE4ALMNA
SCHEMBL16063023 0.83 APP (0.37) LTA4HAPPPTGS1PDE4ALMNA
SCHEMBL16063010 0.83 APP (0.39) LTA4HAPPPTGS1PDE4ALMNA
SCHEMBL19708222 0.83 LTA4H (0.44) LTA4HAPP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150246988-A1 METHOD FOR PRODUCING ZWITTERIONIC MONOMERS AND USE OF SAID MONOMERS KARLSRUHER INSTITUT FUER TECHNOLOGIE (DE) 2015-09-03 — — 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-20150246988-A1 METHOD FOR PRODUCING ZWITTERIONIC MONOMERS AND USE OF SAID MONOMERS AS3MT, ACMSD, CD14 LTA4H 1340/4885APP 2673/4885PTGS1 1283/4885

“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.

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