SCHEMBL19681508

SCHEMBL19681508

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 5/20 0.36
GGPS1 O95749 3/20 0.36
FFAR4 Q5NUL3 1/20 0.36
FFAR1 O14842 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
S1PR2 O95136 2/20 0.35
S1PR1 P21453 2/20 0.35
S1PR3 Q99500 2/20 0.35
S1PR5 Q9H228 1/20 0.35
TP53 P04637 1/20 0.34
PLA2G1B P04054 2/20 0.33
PLA2G2A P14555 1/20 0.33
KDM5A P29375 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
PHF8 Q9UPP1 1/20 0.33
EPHX2 P34913 1/20 0.33
PSMD14 O00487 1/20 0.33
HSP90AA1 P07900 1/20 0.33
MMP2 P08253 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33

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
SCHEMBL19681580 0.93 GPR84 (0.39) GPR84FFAR4FFAR1L3MBTL1S1PR2
SCHEMBL19681578 0.90 L3MBTL1 (0.42) GPR84FFAR4FFAR1L3MBTL1S1PR2
SCHEMBL19677890 0.87 GPR84 (0.42) GPR84GGPS1FFAR4FFAR1L3MBTL1
SCHEMBL16500388 0.85 GGPS1 (0.44) GPR84GGPS1FFAR4FFAR1L3MBTL1
SCHEMBL25963472 0.85 GPR84 (0.41) GPR84GGPS1FFAR4FFAR1L3MBTL1
SCHEMBL25963617 0.85 GPR84 (0.41) GPR84GGPS1FFAR4FFAR1L3MBTL1
SCHEMBL19681592 0.82 GPR84 (0.34) GPR84GGPS1L3MBTL1PLA2G1BKDM5A
SCHEMBL19681638 0.81 DNM1 (0.40) FFAR4FFAR1L3MBTL1KDM5AKDM4C
SCHEMBL9807600 0.81 GPR84 (0.41) GPR84GGPS1FFAR4FFAR1S1PR2
SCHEMBL19681590 0.80 GLS2 (0.37) 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 GPR84 684/4885GGPS1 1758/4885FFAR4 663/4885

“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.