SCHEMBL4936189

SCHEMBL4936189

CCC[C@H](C)C[C@H](CC(=O)OCC)NC(C)=O

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
PLA2G2C Q5R387 6/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KMT2A Q03164 2/20 0.34
POLB P06746 1/20 0.34
CNR2 P34972 1/20 0.33
PLA2G2A P14555 1/20 0.33
LMNA P02545 1/20 0.32

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
SCHEMBL5166981 1.00 MGAM (0.37) MGAMGAASIMGAM2PLA2G2C
SCHEMBL5327674 1.00 MGAM (0.37) MGAMGAASIMGAM2PLA2G2C
SCHEMBL4195616 1.00 MGAM (0.37) MGAMGAASIMGAM2PLA2G2C
SCHEMBL5163364 0.91 PLA2G2C (0.43) MGAMGAASIMGAM2PLA2G2C
SCHEMBL5163368 0.91 PLA2G2C (0.43) MGAMGAASIMGAM2PLA2G2C
SCHEMBL4205996 0.91 PLA2G2C (0.43) MGAMGAASIMGAM2PLA2G2C
SCHEMBL5180093 0.88 MGAM (0.39) MGAMGAASIMGAM2L3MBTL1
SCHEMBL4204036 0.88 MGAM (0.39) MGAMGAASIMGAM2L3MBTL1
SCHEMBL1405748 0.85 MGAM (0.43) MGAMGAASIMGAM2PLA2G2C
SCHEMBL4156137 0.84 CNR2 (0.42) MGAMGAASIMGAM2L3MBTL1

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-20080194841-A1 Preparation of Optically Pure Beta-Amino Acids Having Affinity for the Alpha-Delta Protein PFIZER INC. 2008-08-14 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-20080194841-A1 Preparation of Optically Pure Beta-Amino Acids Having Affinity for the Alpha-Delta Protein OPRD1, CHRND, CHRNE MGAM 4420/4885GAA 2065/4885SI 2275/4885

“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.