SCHEMBL19681578

SCHEMBL19681578

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.42
PLA2G1B P04054 3/20 0.41
PLA2G2A P14555 1/20 0.41
CACNA1F O60840 1/20 0.40
CHRM2 P08172 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
CHRM3 P20309 1/20 0.40
HTR2A P28223 1/20 0.40
SLC6A4 P31645 1/20 0.40
DRD3 P35462 1/20 0.40
CACNA1D Q01668 1/20 0.40
KCNH2 Q12809 1/20 0.40
CACNA1S Q13698 1/20 0.40
CACNA1C Q13936 1/20 0.40
GPR84 Q9NQS5 6/20 0.37
FFAR4 Q5NUL3 1/20 0.36
FFAR1 O14842 1/20 0.36
TP53 P04637 1/20 0.35
S1PR2 O95136 1/20 0.34

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 0.94 GPR84 (0.39) L3MBTL1PLA2G1BPLA2G2AGPR84FFAR4
SCHEMBL19681508 0.90 GPR84 (0.36) L3MBTL1PLA2G1BPLA2G2AGPR84FFAR4
SCHEMBL19677888 0.83 PLA2G1B (0.52) L3MBTL1PLA2G1BPLA2G2AGPR84FFAR4
SCHEMBL12515784 0.80 GPR84 (0.46) L3MBTL1PLA2G1BPLA2G2AGPR84FFAR4
SCHEMBL12515911 0.80 GPR84 (0.46) L3MBTL1PLA2G1BPLA2G2AGPR84FFAR4
SCHEMBL19681577 0.80 GLS2 (0.38) PLA2G1BPLA2G2ACACNA1FCHRM2ADRA2B
SCHEMBL26039947 0.78 GPR84 (0.47) L3MBTL1PLA2G1BPLA2G2AGPR84FFAR4
SCHEMBL17199810 0.78 GPR84 (0.47) L3MBTL1PLA2G1BPLA2G2AGPR84FFAR4
SCHEMBL18789543 0.77 GPR84 (0.43) L3MBTL1PLA2G1BPLA2G2AGPR84FFAR4
SCHEMBL11504362 0.77 FFAR1 (0.53) PLA2G1BGPR84FFAR4FFAR1TP53

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 L3MBTL1 964/4885PLA2G1B 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.