SCHEMBL3100604

SCHEMBL3100604

O=C(Cc1ccccc1)OCCOC(=O)NC1(C(=O)O)CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PAM P19021 1/20 0.46
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
ALOX5 P09917 1/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSS P25774 1/20 0.41
NPC1 O15118 1/20 0.40
RECQL P46063 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MGLL Q99685 3/20 0.40
LPAR1 Q92633 1/20 0.39
TSHR P16473 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
SCHEMBL3093118 0.88 TDP1 (0.62) ALDH1A1KMT2AMEN1TDP1ALOX5
SCHEMBL3106238 0.85 TDP1 (0.51) ALDH1A1MAPK1KMT2AMEN1TDP1
SCHEMBL143763 0.81 CTSS (0.57) ALDH1A1CTSLCTSBCTSSNPC1
SCHEMBL3094684 0.80 TDP1 (0.51) ALDH1A1MAPK1KMT2AMEN1TDP1
SCHEMBL1434644 0.78 ALDH1A1 (0.73) ALDH1A1MAPK1L3MBTL1PAMKMT2A
SCHEMBL3100600 0.77 TSHR (0.52) ALDH1A1MAPK1L3MBTL1PAMKMT2A
SCHEMBL1151498 0.75 CTSS (0.65) ALDH1A1CTSLCTSBCTSSNPC1
SCHEMBL4179836 0.75 CTSS (0.62) ALDH1A1CTSLCTSBCTSSNPC1
SCHEMBL3103768 0.75 AKR1B10 (0.57) ALDH1A1MAPK1KMT2AMEN1TDP1
SCHEMBL3103753 0.75 AKR1B10 (0.57) ALDH1A1MAPK1KMT2AMEN1TDP1

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 8 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
WO-2008013860-A2 ACYLOXYALKYL CARBAMATE PRODRUGS OF ALPHA-AMINO ACIDS, METHODS OF SYNTHESIS AND USE XENOPORT, INC. (US) 2008-01-31 WO 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 ALDH1A1 1320/4885MAPK1 4634/4885L3MBTL1 2854/4885
US-20080051458-A1 Acyloxyalkyl carbamate prodrugs of alpha-amino acids, methods of synthesis and use ASNS, ASPH, DNPEP ALDH1A1 1320/4885MAPK1 4634/4885L3MBTL1 2854/4885

“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.