SCHEMBL2133548

SCHEMBL2133548

O=C(O)CN(C(=O)OCc1ccccc1)[C@@H]1CO1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
KMT2A Q03164 2/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ENPP2 Q13822 1/20 0.41
GAA P10253 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
MEN1 O00255 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CCR6 P51684 1/20 0.39
PAX8 Q06710 1/20 0.39
TSHR P16473 1/20 0.39
NPC1 O15118 1/20 0.39

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
SCHEMBL8843650 0.85 CYP1A2 (0.43) ALDH1A1KMT2AENPP2SIGMAR1CHRM2
SCHEMBL8843644 0.85 CYP1A2 (0.43) ALDH1A1KMT2AENPP2SIGMAR1CHRM2
SCHEMBL4550640 0.84 ALDH1A1 (0.41) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
SCHEMBL6166891 0.82 ENPP2 (0.48) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
SCHEMBL7801189 0.80 ENPP2 (0.55) L3MBTL1ENPP2SIGMAR1CHRM2CHRM5
SCHEMBL633907 0.79 SIGMAR1 (0.54) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
SCHEMBL633302 0.79 SIGMAR1 (0.54) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
SCHEMBL190556 0.79 ENPP2 (0.57) ALDH1A1L3MBTL1ENPP2SIGMAR1
SCHEMBL22285161 0.79 ENPP2 (0.57) ALDH1A1L3MBTL1ENPP2SIGMAR1
SCHEMBL8381132 0.75 ALDH1A1 (0.44) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2

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-20120101257-A1 PROCESSES FOR PREPARING AMINO-SUBSTITUTED GAMMA-LACTAMS UNIVERSITE DE MONTREAL (CA) 2012-04-26 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-20120101257-A1 PROCESSES FOR PREPARING AMINO-SUBSTITUTED GAMMA-LACTAMS QPCT, GLUL, ASNS ALDH1A1 3660/4885KMT2A 4277/4885MAPK1 4520/4885

“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.