SCHEMBL2117116

SCHEMBL2117116

CCCCCCCCCCCCCCC(=O)C(=O)N[C@@H](CCCC)C(=O)NCC(=O)O

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 6/20 0.63
PLA2G5 P39877 3/20 0.55
FAAH O00519 4/20 0.49
PLA2G4A P47712 1/20 0.49
NOD1 Q9Y239 1/20 0.43
PLA2G2C Q5R387 1/20 0.43
SIRT6 Q8N6T7 1/20 0.42
SIRT1 Q96EB6 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CES2 O00748 3/20 0.41
CES1 P23141 3/20 0.41
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40

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
SCHEMBL2117121 1.00 PLA2G2A (0.63) PLA2G2APLA2G5FAAHPLA2G4ANOD1
SCHEMBL2773210 0.83 PLA2G2A (0.58) PLA2G2APLA2G5PLA2G4ANOD1PLA2G2C
SCHEMBL2773637 0.83 PLA2G2A (0.58) PLA2G2APLA2G5PLA2G4ANOD1PLA2G2C
SCHEMBL2773206 0.83 PLA2G2A (0.58) PLA2G2APLA2G5PLA2G4ANOD1PLA2G2C
SCHEMBL2771857 0.82 PLA2G2A (0.62) PLA2G2APLA2G5PLA2G4ASIRT6SIRT1
SCHEMBL2771859 0.82 PLA2G2A (0.62) PLA2G2APLA2G5PLA2G4ASIRT6SIRT1
SCHEMBL2770510 0.82 PLA2G2A (0.72) PLA2G2APLA2G5PLA2G4ANOD1PLA2G2C
SCHEMBL2120784 0.81 PLA2G2A (0.69) PLA2G2APLA2G5FAAHPLA2G4AMEN1
SCHEMBL2120792 0.81 PLA2G2A (0.69) PLA2G2APLA2G5FAAHPLA2G4AMEN1
SCHEMBL2769449 0.79 PLA2G2A (0.72) PLA2G2APLA2G5FAAHPLA2G4ANOD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8580852-B2 2-oxamide inhibitors of phospholipase A2 activity and cellular arachidonate release based on dipeptides and pseudopeptides THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-11-12 US disclosed
US-20120095096-A1 2-OXAMIDE INHIBITORS OF PHOSPHOLIPASE A2 ACTIVITY AND CELLULAR ARACHIDONATE RELEASE BASED ON DIPEPTIDES AND PSEUDOPEPTIDES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-04-19 US disclosed
WO-2010123832-A2 2-OXAMIDE INHIBITORS OF PHOSPHOLIPASE A2 ACTIVITY AND CELLULAR ARACHIDONATE RELEASE BASED ON DIPEPTIDES AND PSEUDOPEPTIDES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-10-28 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-20120095096-A1 2-OXAMIDE INHIBITORS OF PHOSPHOLIPASE A2 ACTIVITY AND CELLULAR ARACHIDONATE RELEASE BASED ON DIPEPTIDES AND PSEUDOPEPTIDES PLA2G2E, PLA2G4A, PLAA PLA2G2A 6/4885PLA2G5 16/4885FAAH 575/4885

“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.