SCHEMBL7554622

SCHEMBL7554622

CCOC(=O)[C@H](C)C[C@H](N)C(=O)OCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.45
CYP3A4 P08684 1/20 0.45
GAA P10253 2/20 0.44
ALOX15 P16050 1/20 0.41
ALDH1A1 P00352 3/20 0.39
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SLC7A5 Q01650 1/20 0.37
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
MGAM O43451 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
SOAT1 P35610 1/20 0.36
HPGD P15428 1/20 0.35
METAP2 P50579 4/20 0.35
METAP1 P53582 3/20 0.35
CAD P27708 1/20 0.34
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 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
SCHEMBL7557066 1.00 CYP2C19 (0.45) CYP2C19CYP3A4GAAALOX15ALDH1A1
SCHEMBL1301349 0.88 ENPEP (0.47) ALOX15SLC7A5SLC1A3SLC1A2SLC1A1
SCHEMBL14016339 0.86 ALOX15 (0.48) CYP2C19GAAALOX15ALDH1A1LMNA
SCHEMBL19387915 0.84 CYP2C19 (0.46) CYP2C19CYP3A4GAAALOX15ALDH1A1
SCHEMBL196637 0.84 SLC7A5 (0.54) CYP2C19GAAALOX15ALDH1A1LMNA
SCHEMBL12975795 0.84 CYP2C19 (0.46) CYP2C19CYP3A4GAAALOX15ALDH1A1
SCHEMBL133092 0.84 SLC7A5 (0.54) CYP2C19GAAALOX15ALDH1A1LMNA
SCHEMBL839402 0.84 SLC7A5 (0.54) CYP2C19GAAALOX15ALDH1A1LMNA
SCHEMBL18410487 0.84 CYP3A4 (0.56) CYP2C19CYP3A4GAAALOX15ALDH1A1
Hydrochloric Acid SCHEMBL10887590 0.83 SLC7A5 (0.52) CYP2C19GAAALOX15ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020115721-A1 Esters of alkycarboxy amino acids as prodrugs of modulators of the kainate receptor ANNOVIS, INC. 2002-08-22 US claimed
WO-2002055479-A2 ESTERS OF ALKYLCARBOXY AMINO ACIDS AS PRODRUGS OF MODULATORS OF THE KAINATE RECEPTOR ANNOVIS, INC. (US) 2002-07-18 WO claimed
US-20020115721-A1 Esters of alkycarboxy amino acids as prodrugs of modulators of the kainate receptor ANNOVIS, INC. 2002-08-22 US disclosed
WO-2002055479-A2 ESTERS OF ALKYLCARBOXY AMINO ACIDS AS PRODRUGS OF MODULATORS OF THE KAINATE RECEPTOR ANNOVIS, INC. (US) 2002-07-18 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-20020115721-A1 Esters of alkycarboxy amino acids as prodrugs of modulators of the kainate receptor GRIK1, GRIK2, GRIK4 CYP2C19 1787/4885CYP3A4 2346/4885GAA 753/4885

“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.