SCHEMBL19681583

SCHEMBL19681583

C=CC(=O)NCC[N+](C)(C)CC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 1/20 0.44
ZDHHC2 Q9UIJ5 1/20 0.44
TSHR P16473 3/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
LMNA P02545 1/20 0.34
APEX1 P27695 1/20 0.34
TGM2 P21980 2/20 0.33
GAA P10253 1/20 0.33
ACHE P22303 1/20 0.31
CBLB Q13191 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
SCHEMBL18362356 0.94 ZDHHC20 (0.40) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL3958580 0.90 ZDHHC20 (0.50) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL18362354 0.89 TSHR (0.36) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
Bromide SCHEMBL2270678 0.88 ZDHHC20 (0.49) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL18362355 0.85 ZDHHC20 (0.33) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL19677892 0.84 ZDHHC20 (0.43) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL3764640 0.81 ZDHHC20 (0.52) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL17322450 0.81 ZDHHC20 (0.52) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
Bromide SCHEMBL6117271 0.80 ZDHHC20 (0.50) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
Hydrochloric Acid SCHEMBL17414844 0.80 ZDHHC20 (0.50) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1

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 573/4885TSHR 3527/4885

“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.