SCHEMBL19681580

SCHEMBL19681580

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

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 8/20 0.39
FFAR1 O14842 2/20 0.38
FFAR4 Q5NUL3 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TP53 P04637 1/20 0.37
PLA2G1B P04054 3/20 0.36
PLA2G2A P14555 1/20 0.36
S1PR2 O95136 1/20 0.35
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35
PSMD14 O00487 2/20 0.35
MMP2 P08253 2/20 0.35
ATG4B Q9Y4P1 2/20 0.35
HSP90AA1 P07900 1/20 0.35
RAD52 P43351 1/20 0.35
EPHX2 P34913 1/20 0.35
NFKB1 P19838 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
SCHEMBL19681578 0.94 L3MBTL1 (0.42) GPR84FFAR1FFAR4L3MBTL1TP53
SCHEMBL19681508 0.93 GPR84 (0.36) GPR84FFAR1FFAR4L3MBTL1TP53
SCHEMBL12515911 0.86 GPR84 (0.46) GPR84FFAR1FFAR4L3MBTL1PLA2G1B
SCHEMBL12515784 0.86 GPR84 (0.46) GPR84FFAR1FFAR4L3MBTL1PLA2G1B
SCHEMBL16316707 0.81 EPHX2 (0.44) S1PR2S1PR1S1PR3EPHX2
SCHEMBL8816521 0.81 EPHX2 (0.44) S1PR2S1PR1S1PR3EPHX2
SCHEMBL30949867 0.81 EPHX2 (0.44) S1PR2S1PR1S1PR3EPHX2
SCHEMBL17199810 0.81 GPR84 (0.47) GPR84FFAR1FFAR4L3MBTL1PLA2G1B
SCHEMBL30949857 0.81 EPHX2 (0.44) S1PR2S1PR1S1PR3EPHX2
SCHEMBL30949869 0.81 EPHX2 (0.44) S1PR2S1PR1S1PR3EPHX2

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 684/4885FFAR1 624/4885FFAR4 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.