SCHEMBL5355498

SCHEMBL5355498

N[C@@H](CCC(=O)O)CCc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 7/20 0.67
SRD5A2 P31213 2/20 0.58
S1PR2 O95136 1/20 0.58
S1PR1 P21453 1/20 0.58
S1PR3 Q99500 1/20 0.58
FFAR4 Q5NUL3 4/20 0.57
MMP12 P39900 1/20 0.57
MMP13 P45452 1/20 0.57
LTA4H P09960 5/20 0.53
PLAAT3 P53816 1/20 0.47
PLAAT5 Q96KN8 1/20 0.47
PLAAT2 Q9NWW9 1/20 0.47
PLAAT4 Q9UL19 1/20 0.47

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
SCHEMBL288869 0.86 S1PR2 (0.65) FFAR1S1PR2S1PR1S1PR3LTA4H
SCHEMBL5326561 0.86 S1PR2 (0.65) FFAR1S1PR2S1PR1S1PR3LTA4H
SCHEMBL2774842 0.81 FFAR1 (1.00) FFAR1SRD5A2FFAR4PLAAT3PLAAT5
SCHEMBL287913 0.80 S1PR2 (0.66) FFAR1S1PR2S1PR1S1PR3
SCHEMBL27999713 0.80 S1PR2 (0.66) FFAR1S1PR2S1PR1S1PR3
SCHEMBL5323506 0.79 CYP1A2 (0.63) FFAR1S1PR2S1PR1S1PR3FFAR4
SCHEMBL27615885 0.78 FFAR1 (0.80) FFAR1SRD5A2FFAR4PLAAT3PLAAT5
SCHEMBL5926621 0.76 FFAR1 (0.90) FFAR1SRD5A2FFAR4MMP12MMP13
SCHEMBL14423642 0.76 FFAR1 (0.53) FFAR1SRD5A2S1PR2S1PR1S1PR3
SCHEMBL5613402 0.76 MMP12 (0.91) FFAR1SRD5A2FFAR4MMP12MMP13

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7253194-B2 Compounds and inhibitors of phospholipases THE UNIVERSITY OF QUEENSLAND (AU) 2007-08-07 US disclosed
EP-1309552-A4 COMPOUNDS AND INHIBITORS OF PHOSPHOLIPASES UNIV QUEENSLAND (AU) 2005-07-20 EP disclosed
US-20040033995-A1 Compounds and inhibitors of phospholipases QUEENSLAND, THE UNIVERSITY OF (AU) 2004-02-19 US disclosed
EP-1309552-A1 COMPOUNDS AND INHIBITORS OF PHOSPHOLIPASES THE UNIVERSITY OF QUEENSLAND (AU) 2003-05-14 EP disclosed
WO-2002008189-A1 COMPOUNDS AND INHIBITORS OF PHOSPHOLIPASES THE UNIVERSITY OF QUEENSLAND (AU) 2002-01-31 WO 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-20040033995-A1 Compounds and inhibitors of phospholipases PLA2G4C, PLA2G4B, PLA2G4A FFAR1 505/4885SRD5A2 3735/4885S1PR2 739/4885

“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.