SCHEMBL3106232

SCHEMBL3106232

CC(OC(=O)CCCc1ccccc1)OC(=O)NC1(C(=O)O)CC1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FAAH O00519 13/20 0.46
LPAR1 Q92633 2/20 0.43
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
MGLL Q99685 4/20 0.41
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.41
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41

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
SCHEMBL3093116 0.93 FAAH (0.44) FAAHLPAR1
SCHEMBL3100600 0.85 TSHR (0.52) FAAHLPAR1SMN1; SMN2ADRB2ADRB1
SCHEMBL3099269 0.82 FAAH (0.43) FAAHLPAR1
SCHEMBL3106238 0.81 TDP1 (0.51) LPAR1SMN1; SMN2MGLLLMNAADRB2
SCHEMBL3094682 0.76 NPC1 (0.43) SMN1; SMN2LMNAADRB2ADRB1ADRB3
SCHEMBL11800230 0.74 TSHR (0.64) FAAHHPGDSMN1; SMN2MGLLLMNA
SCHEMBL29743339 0.73 FAAH (0.51) FAAHHPGDSMN1; SMN2MGLLLMNA
SCHEMBL3093118 0.73 TDP1 (0.62) LPAR1SMN1; SMN2MGLL
SCHEMBL9139288 0.72 FAAH (0.50) FAAHHPGDSMN1; SMN2MGLLLMNA
SCHEMBL9139291 0.72 FAAH (0.50) FAAHHPGDSMN1; SMN2MGLLLMNA

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 FAAH 49/4885LPAR1 2659/4885HPGD 942/4885
US-20080051458-A1 Acyloxyalkyl carbamate prodrugs of alpha-amino acids, methods of synthesis and use ASNS, ASPH, DNPEP FAAH 49/4885LPAR1 2659/4885HPGD 942/4885

“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.