SCHEMBL4402023

SCHEMBL4402023

Cc1ccccc1C(=O)OCCOC(=O)NC(CO)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.44
ADRB1 P08588 2/20 0.44
ADRB3 P13945 2/20 0.44
TSHR P16473 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 1/20 0.41
SCN1A P35498 1/20 0.40
SCN2A Q99250 1/20 0.40
SCN3A Q9NY46 1/20 0.40
PDCD1 Q15116 3/20 0.39
CD274 Q9NZQ7 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
NPC1 O15118 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ERCC5 P28715 1/20 0.38
FEN1 P39748 1/20 0.38

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
SCHEMBL3106421 1.00 ADRB2 (0.44) ADRB2ADRB1ADRB3TSHRMEN1
SCHEMBL4758614 0.95 TSHR (0.43) ADRB2ADRB1ADRB3TSHRMEN1
SCHEMBL10659458 0.83 KDM4E (0.43) L3MBTL1
SCHEMBL4758611 0.83 SMN1; SMN2 (0.44) ADRB2ADRB1ADRB3TSHRMEN1
SCHEMBL3094213 0.82 TDP1 (0.51) KMT2AALDH1A1TDP1NPC1SMN1; SMN2
SCHEMBL3106415 0.81 SMN1; SMN2 (0.41) ADRB2ADRB1ADRB3MEN1KMT2A
SCHEMBL17797782 0.78 TSHR (0.66) ADRB2ADRB1ADRB3TSHRMEN1
SCHEMBL18419393 0.78 L3MBTL1 (0.52) L3MBTL1NPC1SMN1; SMN2ERCC5FEN1
SCHEMBL10657352 0.78 L3MBTL1 (0.52) L3MBTL1NPC1SMN1; SMN2ERCC5FEN1
SCHEMBL12983798 0.75 ALDH1A1 (0.60) TSHRALDH1A1SCN1ASCN2ASCN3A

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-20090192225-A1 Acyloxyalkyl Carbamate Prodrugs of Alpha-Amino Acids, Methods of Synthesis and Use XENOPORT, INC. (US) 2009-07-30 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-20090192225-A1 Acyloxyalkyl Carbamate Prodrugs of Alpha-Amino Acids, Methods of Synthesis and Use ASNS, ASPH, DNPEP ADRB2 1642/4885ADRB1 964/4885ADRB3 1388/4885

“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.