SCHEMBL19681586

SCHEMBL19681586

C=CC(=O)NCCN(C)CCCS(=O)(=O)O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 1/20 0.46
ZDHHC2 Q9UIJ5 1/20 0.46
ALDH1A1 P00352 2/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TGM2 P21980 6/20 0.35
EPHX2 P34913 1/20 0.35
GAA P10253 1/20 0.33
KDM4E B2RXH2 3/20 0.32
CD274 Q9NZQ7 1/20 0.31
HDAC1 Q13547 1/20 0.31
LTA4H P09960 1/20 0.31
MEN1 O00255 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 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
SCHEMBL27988246 0.94 ZDHHC20 (0.50) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
SCHEMBL14820451 0.94 ZDHHC20 (0.50) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
SCHEMBL28262483 0.91 ZDHHC20 (0.50) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
SCHEMBL28261348 0.88 ZDHHC20 (0.50) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
SCHEMBL17858061 0.85 ZDHHC20 (0.52) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
SCHEMBL12301856 0.83 ZDHHC20 (0.52) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
SCHEMBL866404 0.82 ZDHHC20 (0.51) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
SCHEMBL6341877 0.81 ZDHHC20 (0.61) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
SCHEMBL18331600 0.80 ZDHHC20 (0.59) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
SCHEMBL177994 0.80 ZDHHC20 (0.58) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1

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-20170349543-A1 CATIONIC SULFONAMIDE AMINO LIPIDS AND AMPHIPHILIC ZWITTERIONIC AMINO LIPIDS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-12-07 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-20170349543-A1 CATIONIC SULFONAMIDE AMINO LIPIDS AND AMPHIPHILIC ZWITTERIONIC AMINO LIPIDS ABHD16A, AARS1, CFTR ZDHHC20 676/4885ZDHHC2 573/4885ALDH1A1 4503/4885

“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.