SCHEMBL23988453

SCHEMBL23988453

O=S(=O)(O)CCCCCN(CCCS(=O)(=O)O)CCN(CCCCCS(=O)(=O)O)CCCS(=O)(=O)O

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.42
PTGS1 P23219 1/20 0.35
PDE4A P27815 1/20 0.35
LMNA P02545 1/20 0.35
SLC6A6 P31641 1/20 0.35
CYP2C19 P33261 1/20 0.35
BLM P54132 1/20 0.35
EPHX2 P34913 1/20 0.33

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
SCHEMBL16666053 0.90 APP (0.50) APPPTGS1PDE4ALMNASLC6A6
SCHEMBL11236423 0.86 APP (0.39) APPPTGS1PDE4ALMNASLC6A6
SCHEMBL30949857 0.85 EPHX2 (0.44) APPEPHX2
SCHEMBL30949863 0.85 EPHX2 (0.44) APPEPHX2
SCHEMBL30949869 0.85 EPHX2 (0.44) APPEPHX2
SCHEMBL8816521 0.85 EPHX2 (0.44) APPEPHX2
SCHEMBL16316707 0.85 EPHX2 (0.44) APPEPHX2
SCHEMBL30949867 0.85 EPHX2 (0.44) APPEPHX2
SCHEMBL23988450 0.84 APP (0.34) APPEPHX2
SCHEMBL11238895 0.84 APP (0.41) APPPTGS1PDE4ALMNASLC6A6

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-20210340404-A1 SILANOL COMPOSITIONS AND METHODS OF USE 3M INNOVATIVE PROPERTIES COMPANY 2021-11-04 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-20210340404-A1 SILANOL COMPOSITIONS AND METHODS OF USE EPCAM, ITGA8, CD99 APP 3050/4885PTGS1 1045/4885PDE4A 4695/4885

“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.