SCHEMBL3094684

SCHEMBL3094684

O=C(NC1(C(=O)O)CC1)OCCOC(=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.51
LMNA P02545 1/20 0.49
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
MAPK1 P28482 2/20 0.42
KMT2A Q03164 2/20 0.42
HIF1A Q16665 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
PKM P14618 2/20 0.41
MEN1 O00255 1/20 0.40
ATM Q13315 1/20 0.40
TSHR P16473 2/20 0.40

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
SCHEMBL3101730 0.87 RAB9A (0.43) TDP1LMNAESR1ESR2KMT2A
SCHEMBL3100177 0.82 TSHR (0.43) TDP1KMT2ANPC1ALDH1A1MEN1
SCHEMBL3100604 0.80 ALDH1A1 (0.47) TDP1MAPK1KMT2ANPC1RAB9A
SCHEMBL3106069 0.79 MAPT (0.50) MAPK1KMT2ARAB9ASMN1; SMN2MEN1
SCHEMBL3093118 0.79 TDP1 (0.62) TDP1KMT2ANPC1RAB9AALDH1A1
SCHEMBL3103753 0.77 AKR1B10 (0.57) TDP1LMNAESR1MAPK1KMT2A
SCHEMBL3106238 0.77 TDP1 (0.51) TDP1LMNAMAPK1KMT2ASLC6A3
SCHEMBL3103768 0.77 AKR1B10 (0.57) TDP1LMNAESR1MAPK1KMT2A
SCHEMBL137486 0.77 TDP1 (0.83) TDP1LMNAESR1ESR2MAPK1
Cyclopropane SCHEMBL5387563 0.75 TDP1 (0.73) TDP1LMNAESR1ESR2MAPK1

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 TDP1 2290/4885LMNA 2068/4885ESR1 2954/4885
US-20080051458-A1 Acyloxyalkyl carbamate prodrugs of alpha-amino acids, methods of synthesis and use ASNS, ASPH, DNPEP TDP1 2290/4885LMNA 2068/4885ESR1 2954/4885

“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.