SCHEMBL3100177

SCHEMBL3100177

Cc1ccccc1C(=O)OCCOC(=O)NC1(C(=O)O)CC1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CXCR5 P32302 9/20 0.42
ADRB2 P07550 2/20 0.41
ADRB1 P08588 2/20 0.41
ADRB3 P13945 2/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL3094684 0.82 TDP1 (0.51) TSHRMEN1KMT2ANPC1ALDH1A1
SCHEMBL3101730 0.79 RAB9A (0.43) TSHRMEN1KMT2AADRB2ADRB1
SCHEMBL3100174 0.79 CXCR5 (0.45) CXCR5ADRB2ADRB1ADRB3NPC1
SCHEMBL17797782 0.78 TSHR (0.66) TSHRMEN1KMT2AADRB2ADRB1
SCHEMBL3100604 0.75 ALDH1A1 (0.47) TSHRMEN1KMT2ANPC1ALDH1A1
SCHEMBL29860961 0.74 LMNA (0.61) TSHRMEN1KMT2AADRB2ADRB1
SCHEMBL8433421 0.74 TSHR (0.59) TSHRMEN1KMT2AADRB2ADRB1
SCHEMBL17797867 0.74 TSHR (0.59) TSHRMEN1KMT2AADRB2ADRB1
SCHEMBL16049266 0.74 TSHR (0.59) TSHRMEN1KMT2AADRB2ADRB1
SCHEMBL3093118 0.74 TDP1 (0.62) MEN1KMT2ANPC1ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7531572-B2 Acyloxyalkyl carbamate prodrugs of α-amino acids, methods of synthesis and use XENOPORT, INC. (US) 2009-05-12 US claimed
US-20080051458-A1 Acyloxyalkyl carbamate prodrugs of alpha-amino acids, methods of synthesis and use XENOPORT, INC. 2008-02-28 US claimed
US-7799829-B2 Acyloxyalkyl carbamate prodrugs of α-amino acids, methods of synthesis and use XENOPORT, INC. (US) 2010-09-21 US disclosed
US-20090192225-A1 Acyloxyalkyl Carbamate Prodrugs of Alpha-Amino Acids, Methods of Synthesis and Use XENOPORT, INC. (US) 2009-07-30 US disclosed
US-7531572-B2 Acyloxyalkyl carbamate prodrugs of α-amino acids, methods of synthesis and use XENOPORT, INC. (US) 2009-05-12 US disclosed
US-20080051458-A1 Acyloxyalkyl carbamate prodrugs of alpha-amino acids, methods of synthesis and use XENOPORT, INC. 2008-02-28 US disclosed
WO-2008013860-A2 ACYLOXYALKYL CARBAMATE PRODRUGS OF ALPHA-AMINO ACIDS, METHODS OF SYNTHESIS AND USE XENOPORT, INC. (US) 2008-01-31 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 (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-20090192225-A1 Acyloxyalkyl Carbamate Prodrugs of Alpha-Amino Acids, Methods of Synthesis and Use ASNS, ASPH, DNPEP TSHR 3356/4885MEN1 2265/4885KMT2A 1398/4885
US-20080051458-A1 Acyloxyalkyl carbamate prodrugs of alpha-amino acids, methods of synthesis and use ASNS, ASPH, DNPEP TSHR 3356/4885MEN1 2265/4885KMT2A 1398/4885

“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.