SCHEMBL19681577

SCHEMBL19681577

CCCCCCCCCCCCC(CN(CCCN(CC)CCCS(=O)(=O)O)CC(CCCCCCCCCCCC)OC(C)=O)OC(C)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLS2 Q9UI32 3/20 0.38
PLA2G1B P04054 1/20 0.35
PLA2G2A P14555 1/20 0.35
PRKCA P17252 2/20 0.34
CACNA1F O60840 1/20 0.34
CHRM2 P08172 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
CHRM3 P20309 1/20 0.34
HTR2A P28223 1/20 0.34
SLC6A4 P31645 1/20 0.34
DRD3 P35462 1/20 0.34
CACNA1D Q01668 1/20 0.34
KCNH2 Q12809 1/20 0.34
CACNA1S Q13698 1/20 0.34
CACNA1C Q13936 1/20 0.34
LTA4H P09960 1/20 0.32
EPHX2 P34913 1/20 0.32
PAOX Q6QHF9 1/20 0.32
PDCD4 Q53EL6 2/20 0.32

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
SCHEMBL19681579 0.95 GLS2 (0.39) GLS2PRKCALTA4HEPHX2PDCD4
SCHEMBL19681590 0.92 GLS2 (0.37) GLS2PRKCALTA4HEPHX2PDCD4
SCHEMBL25681486 0.84 GLS2 (0.35) GLS2PRKCADRD3LTA4HEPHX2
SCHEMBL19681578 0.80 L3MBTL1 (0.42) PLA2G1BPLA2G2ACACNA1FCHRM2ADRA2B
SCHEMBL19681510 0.80 TLR2 (0.31) EPHX2TLR2
SCHEMBL19681581 0.75 ADRA1D (0.37) GLS2PRKCADRD3EPHX2
SCHEMBL19681591 0.75 BBOX1 (0.39) GLS2PRKCADRD3
SCHEMBL31420396 0.75 LMNA (0.54) PRKCATLR2
SCHEMBL25681562 0.74 GLS2 (0.35) GLS2PRKCADRD3LTA4HEPHX2
SCHEMBL19681580 0.74 GPR84 (0.39) PLA2G1BPLA2G2AEPHX2

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 GLS2 74/4885PLA2G1B 446/4885PLA2G2A 181/4885

“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.