SCHEMBL4452755

SCHEMBL4452755

CCOC(=O)C[C@@H](NC(C)=O)[C@H](C)[C@H](C)CC

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.41
GAA P10253 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 4/20 0.34
TRPA1 O75762 1/20 0.34
CYP1A2 P05177 1/20 0.34
LMNA P02545 2/20 0.34
HSD17B10 Q99714 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL4989784 1.00 MGAM (0.41) MGAMGAASIMGAM2L3MBTL1
SCHEMBL6404270 1.00 MGAM (0.41) MGAMGAASIMGAM2L3MBTL1
SCHEMBL5280027 0.89 MGAM (0.37) MGAMGAASIMGAM2L3MBTL1
SCHEMBL4989345 0.89 MGAM (0.37) MGAMGAASIMGAM2L3MBTL1
SCHEMBL4450222 0.89 MGAM (0.37) MGAMGAASIMGAM2L3MBTL1
SCHEMBL4564435 0.84 MGAM (0.45) MGAMGAASIMGAM2L3MBTL1
SCHEMBL4938448 0.81 ALDH1A1 (0.37) L3MBTL1ALDH1A1KMT2AALOX15
SCHEMBL4938443 0.81 ALDH1A1 (0.37) L3MBTL1ALDH1A1KMT2AALOX15
SCHEMBL22246440 0.77 MGAM (0.48) MGAMGAASIMGAM2L3MBTL1
SCHEMBL13356642 0.77 MGAM (0.48) 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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005102389-A9 COMBINATIONS COMPRISING ALPHA-2-DELTA LIGANDS AND EP4 RECEPTOR ANTAGONISTS PFIZER PROD INC (US) 2009-04-30 WO disclosed
US-20090036495-A1 Combinations Comprising Alpha-2-Delta Ligands and Ep4 Receptor Antagonists PFIZER, INC. 2009-02-05 US disclosed
US-20080194841-A1 Preparation of Optically Pure Beta-Amino Acids Having Affinity for the Alpha-Delta Protein PFIZER INC. 2008-08-14 US disclosed
US-7388023-B2 Amino acids with affinity for the α2δ-protein WARNER-LAMBERT COMPANY LLC (US) 2008-06-17 US disclosed
US-20070191350-A1 Combinations comprising alpha-2-delta ligands PIFIZER INC. (US) 2007-08-16 US disclosed
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN WANER-LAMBERT COMPANY LLC (US) 2007-06-07 US disclosed
US-7179934-B2 Amino acids with affinity for the α2δ-protein WARNER-LAMBERT COMPANY LLC (US) 2007-02-20 US disclosed
EP-1740211-A2 COMBINATIONS COMPRISING ALPHA-2-DELTA LIGANDS AND EP4 RECEPTOR ANTAGONISTS Pfizer Products Incorporated (US) 2007-01-10 EP disclosed
EP-1727535-A1 COMBINATIONS COMPRISING ALPHA-2-DELTA LIGANDS Pfizer Limited (GB) 2006-12-06 EP disclosed
WO-2005102389-A2 COMBINATIONS COMPRISING ALPHA-2-DELTA LIGANDS AND EP4 RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2005-11-03 WO disclosed
WO-2005102390-A2 COMBINATIONS COMPRISING ALPHA-2-DELTA LIGANDS AND NMDA RECEPTOR ANTAGONISTS PFIZER JAPAN, INC. (JP) 2005-11-03 WO disclosed
WO-2005092318-A1 COMBINATIONS COMPRISING ALPHA-2-DELTA LIGANDS PFIZER LIMITED (GB) 2005-10-06 WO disclosed
US-20050124668-A1 Amino acids with affinity for the alpha2delta-protein WARNER-LAMBERT COMPANY LLC 2005-06-09 US disclosed
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein WARNER-LAMBERT COMPANY LLC 2005-05-12 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 (6 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-20050124668-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, SCN1A, OPRD1 MGAM 4339/4885GAA 2329/4885SI 4119/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A MGAM 4097/4885GAA 2133/4885SI 3613/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A MGAM 4296/4885GAA 2307/4885SI 3910/4885
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
US-20070191350-A1 Combinations comprising alpha-2-delta ligands OPRD1, CHRND, OPRL1 MGAM 3635/4885GAA 2262/4885SI 3041/4885
US-20090036495-A1 Combinations Comprising Alpha-2-Delta Ligands and Ep4 Receptor Antagonists PTGER4, PTGER2, OPRL1 MGAM 4054/4885GAA 3718/4885SI 1295/4885

“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.