SCHEMBL21064436

SCHEMBL21064436

CC(C)(O)CNCCCS(=O)(=O)O

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.37
EPHX2 P34913 1/20 0.33
PTGS1 P23219 1/20 0.30
PDE4A P27815 1/20 0.30
LMNA P02545 1/20 0.30
SLC6A6 P31641 1/20 0.30
CYP2C19 P33261 1/20 0.30
BLM P54132 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
SCHEMBL21064437 0.88 PTGS1 (0.32) APPPTGS1PDE4ALMNASLC6A6
SCHEMBL918133 0.86 APP (0.38) APPEPHX2PTGS1PDE4ALMNA
SCHEMBL11235593 0.83 APP (0.33) APPEPHX2
SCHEMBL17310374 0.78 CYP2C19 (0.36) CYP2C19
SCHEMBL918312 0.78 APP (0.50) APPEPHX2PTGS1PDE4ALMNA
SCHEMBL5501966 0.78 APP (0.38) APPEPHX2PTGS1PDE4ALMNA
SCHEMBL9653601 0.76 APP (0.37) APPPTGS1PDE4ALMNASLC6A6
SCHEMBL9995644 0.75 CES1 (0.32)
SCHEMBL2121438 0.75 APP (0.48) APPEPHX2PTGS1PDE4ALMNA
SCHEMBL4972929 0.75 APP (0.39) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117136304-A Method for processing biological sample 富士瑞必欧株式会社 2023-11-28 CN disclosed
US-20190291045-A1 1-Amino-2-Methyl-2-Propanol Derivatives TPAT IP LLC 2019-09-26 US disclosed
US-10307707-B2 1-amino-2-methyl-2-propanol derivatives TPAT IP LLC 2019-06-04 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 (2 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-10307707-B2 1-amino-2-methyl-2-propanol derivatives PNMT, PKD1, PKD2 APP 1994/4885EPHX2 3466/4885PTGS1 1250/4885
US-20190291045-A1 1-Amino-2-Methyl-2-Propanol Derivatives PNMT, PKD1, PKD2 APP 1994/4885EPHX2 3466/4885PTGS1 1250/4885

“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.