SCHEMBL19681590

SCHEMBL19681590

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

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GLS2 Q9UI32 3/20 0.37
PRKCA P17252 2/20 0.36
TLR2 O60603 1/20 0.32
GGPS1 O95749 3/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
LTA4H P09960 1/20 0.32
EPHX2 P34913 1/20 0.32
PDCD4 Q53EL6 1/20 0.31

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 0.94 GLS2 (0.39) GLS2PRKCATLR2LTA4HEPHX2
SCHEMBL19681577 0.92 GLS2 (0.38) GLS2PRKCATLR2LTA4HEPHX2
SCHEMBL19681510 0.88 TLR2 (0.31) TLR2GGPS1ALDH1A1LMNAEPHX2
SCHEMBL25681486 0.83 GLS2 (0.35) GLS2PRKCATLR2LTA4HEPHX2
SCHEMBL19681508 0.80 GPR84 (0.36) GGPS1EPHX2
SCHEMBL19681581 0.74 ADRA1D (0.37) GLS2PRKCAEPHX2
SCHEMBL19681591 0.74 BBOX1 (0.39) GLS2PRKCALMNA
SCHEMBL10869211 0.74 PRKCA (0.45) GLS2PRKCALTA4HPDCD4
SCHEMBL19681580 0.73 GPR84 (0.39) EPHX2
SCHEMBL11553105 0.73 S1PR2 (0.52) GGPS1EPHX2

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 74/4885PRKCA 2583/4885TLR2 2389/4885

“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.