SCHEMBL641810

SCHEMBL641810

COC(=O)CN[C@@H](C)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.40
TET2 Q6N021 1/20 0.40
RECQL P46063 1/20 0.39
HSD17B10 Q99714 3/20 0.37
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
SLC1A1 P43005 1/20 0.35
MME P08473 1/20 0.33
ACE P12821 1/20 0.33
CPA1 P15085 1/20 0.33
ACE2 Q9BYF1 1/20 0.33
ALDH1A1 P00352 1/20 0.33
THRB P10828 1/20 0.33
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP9 P14780 1/20 0.32
MMP13 P45452 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
SCHEMBL641811 1.00 TSHR (0.40) TSHRTET2RECQLHSD17B10MGAM
SCHEMBL20928615 0.82 CA14 (0.45) TSHRTET2RECQLHSD17B10MGAM
SCHEMBL8556849 0.81 GAA (0.48) MGAMGAASIMGAM2ALDH1A1
SCHEMBL2317242 0.79 CYP2D6 (0.39) GAA
SCHEMBL1339541 0.79 CYP2D6 (0.39) GAA
SCHEMBL2407746 0.79 CYP2D6 (0.39) GAA
SCHEMBL7401675 0.78 PLA2G2A (0.39) TSHRTET2RECQLHSD17B10MGAM
SCHEMBL7362273 0.78 TSHR (0.48) TSHRHSD17B10MGAMGAASI
SCHEMBL20814002 0.78 TSHR (0.48) TSHRHSD17B10MGAMGAASI
SCHEMBL2805307 0.78 ALDH1A1 (0.43) MMEACECPA1ACE2ALDH1A1

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-20120215007-A1 METHOD FOR PREPARING ENANTIOMERICALLY ENRICHED N-CARBOXYANHYDRIDE SANOFI (FR) 2012-08-23 US disclosed
US-8119813-B2 Method for preparing enantiomerically enriched N-carboxyanhydride SANOFI-AVENTIS (FR) 2012-02-21 US disclosed
US-20100113797-A1 METHOD FOR PREPARING ENANTIOMERICALLY ENRICHED N-CARBOXYANHYDRIDE SANOFI-AVENTIS (FR) 2010-05-06 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 (2 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-20120215007-A1 METHOD FOR PREPARING ENANTIOMERICALLY ENRICHED N-CARBOXYANHYDRIDE DNPEP, NPPA, CPN1 TSHR 3998/4885TET2 2708/4885RECQL 1828/4885
US-20100113797-A1 METHOD FOR PREPARING ENANTIOMERICALLY ENRICHED N-CARBOXYANHYDRIDE DNPEP, NPPA, CPN1 TSHR 3998/4885TET2 2708/4885RECQL 1828/4885

“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.