SCHEMBL3099269

SCHEMBL3099269

CC(C)C(OC(=O)CCc1ccccc1)OC(=O)NC1(C(=O)O)CC1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FAAH O00519 7/20 0.43
TDP1 Q9NUW8 1/20 0.41
CXCR2 P25025 1/20 0.40
LPAR1 Q92633 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
CASP1 P29466 1/20 0.38
CTSB P07858 1/20 0.38
CTSS P25774 1/20 0.38
ALDH1A1 P00352 1/20 0.37

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 0.89 FAAH (0.44) FAAHTDP1CXCR2LPAR1KMT2A
SCHEMBL3106232 0.82 FAAH (0.46) FAAHLPAR1
SCHEMBL3094600 0.80 NPC1 (0.41) KMT2AMEN1ALDH1A1
SCHEMBL3093118 0.79 TDP1 (0.62) TDP1LPAR1KMT2AMEN1CASP1
SCHEMBL4758367 0.77 FAAH (0.50) FAAHTDP1KMT2AMEN1ALDH1A1
SCHEMBL3100600 0.77 TSHR (0.52) FAAHCXCR2LPAR1KMT2AMEN1
SCHEMBL3099215 0.74
SCHEMBL5324746 0.72 FAAH (0.40) FAAHTDP1KMT2AMEN1CASP1
SCHEMBL3106238 0.72 TDP1 (0.51) TDP1LPAR1KMT2AMEN1CASP1
SCHEMBL3183513 0.71 TSHR (0.68) FAAHTDP1KMT2AMEN1ALDH1A1

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 6 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

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 49/4885TDP1 2290/4885CXCR2 3818/4885
US-20080051458-A1 Acyloxyalkyl carbamate prodrugs of alpha-amino acids, methods of synthesis and use ASNS, ASPH, DNPEP FAAH 49/4885TDP1 2290/4885CXCR2 3818/4885

“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.