SCHEMBL21064437

SCHEMBL21064437

CC(C)(O)CNCCS(=O)(=O)O

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
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
CYP2D6 P10635 1/20 0.31
APP P05067 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
SCHEMBL21064436 0.88 APP (0.37) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL2861805 0.82 PTGS1 (0.35) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL11148783 0.82
SCHEMBL1805336 0.75 PTGS1 (0.45) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL8553873 0.74 CYP2D6 (0.34) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL30026428 0.73 PTGS1 (0.43) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL439388 0.73 PTGS1 (0.35) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL918133 0.72 APP (0.38) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL1979880 0.72
SCHEMBL11235593 0.71 APP (0.33) APP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PTGS1 1250/4885PDE4A 26/4885LMNA 1724/4885
US-20190291045-A1 1-Amino-2-Methyl-2-Propanol Derivatives PNMT, PKD1, PKD2 PTGS1 1250/4885PDE4A 26/4885LMNA 1724/4885

“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.