SCHEMBL2604481

SCHEMBL2604481

CCC[C@H](C)COCC(=O)OCC

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
NLRP3 Q96P20 7/20 0.38
ALDH1A1 P00352 2/20 0.38
TRPA1 O75762 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
TSHR P16473 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
POLB P06746 1/20 0.34
GPR88 Q9GZN0 1/20 0.33
EPHX2 P34913 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL14864061 0.84 TDP1 (0.46) MGAMGAASIMGAM2NLRP3
SCHEMBL4521363 0.83 MGAM (0.41) MGAMGAASIMGAM2NLRP3
SCHEMBL30737106 0.82 TDP1 (0.42) MGAMGAASIMGAM2NLRP3
SCHEMBL4465209 0.80 MGAM (0.46) MGAMGAASIMGAM2NLRP3
SCHEMBL28949367 0.79 GAA (0.58) MGAMGAASIMGAM2ALDH1A1
SCHEMBL12527197 0.79 TSHR (0.39) TDP1TSHRGPR88EPHX2
SCHEMBL27969426 0.78 MAPT (0.43) MGAMGAASIMGAM2ALDH1A1
SCHEMBL5001444 0.76 MGAM (0.46) MGAMGAASIMGAM2ALDH1A1
SCHEMBL7952798 0.76 MGAM (0.46) MGAMGAASIMGAM2ALDH1A1
SCHEMBL29207624 0.76 MGAM (0.41) MGAMGAASIMGAM2NLRP3

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 2 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

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 MGAM 353/4885GAA 1108/4885SI 540/4885

“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.