SCHEMBL19681592

SCHEMBL19681592

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

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 4/20 0.34
DNM1 Q05193 2/20 0.34
RELA Q04206 4/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
THRA P10827 1/20 0.32
KDM5A P29375 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
PHF8 Q9UPP1 1/20 0.32
GGPS1 O95749 3/20 0.32
PSMD14 O00487 1/20 0.31
PLA2G1B P04054 1/20 0.31
MMP2 P08253 1/20 0.31
RAD52 P43351 1/20 0.31
ATG4B Q9Y4P1 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
SCHEMBL19681508 0.82 GPR84 (0.36) GPR84L3MBTL1KDM5AKDM4CPHF8
SCHEMBL19677890 0.80 GPR84 (0.42) GPR84L3MBTL1KDM5AKDM4CPHF8
SCHEMBL25963472 0.78 GPR84 (0.41) GPR84L3MBTL1KDM5AKDM4CPHF8
SCHEMBL25963617 0.78 GPR84 (0.41) GPR84L3MBTL1KDM5AKDM4CPHF8
SCHEMBL16500388 0.78 GGPS1 (0.44) GPR84DNM1L3MBTL1KDM5AKDM4C
SCHEMBL19677889 0.77 DNM1 (0.48) GPR84DNM1L3MBTL1PSMD14PLA2G1B
SCHEMBL19681580 0.75 GPR84 (0.39) GPR84L3MBTL1PSMD14PLA2G1BMMP2
SCHEMBL5412524 0.74 DNM1 (0.48) GPR84DNM1L3MBTL1PSMD14PLA2G1B
SCHEMBL5406861 0.74 DNM1 (0.48) GPR84DNM1L3MBTL1PSMD14PLA2G1B
SCHEMBL5408876 0.74 DNM1 (0.48) GPR84DNM1L3MBTL1PSMD14PLA2G1B

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 684/4885DNM1 700/4885RELA 2793/4885

“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.