Sugi Predict

Sugi Predict / Compounds / SCHEMBL3101749

SCHEMBL3101749

SCHEMBL3101749

O=C(N[C@H](CO)C(=O)O)OCCOC(=O)C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 3/20 0.37
▸ ADRB2 P07550 1/20 0.36
▸ ADRB1 P08588 1/20 0.36
▸ ADRB3 P13945 1/20 0.36
▸ ALDH1A1 P00352 4/20 0.35
▸ MAPT P10636 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ CASP1 P29466 1/20 0.35
▸ MME P08473 2/20 0.35
▸ EPHX1 P07099 1/20 0.35
▸ HRH3 Q9Y5N1 2/20 0.33

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
SCHEMBL4756592 0.84 ADRB2 (0.41) TGFBR1ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL3101742 0.78 TGFBR1 (0.39) TGFBR1MME
SCHEMBL3098561 0.76 TGFBR1 (0.37) TGFBR1MME
SCHEMBL3106337 0.76 TGFBR1 (0.37) TGFBR1MME
SCHEMBL8845363 0.76 ALDH1A1 (0.50) ADRB2ADRB1ADRB3ALDH1A1MAPT
SCHEMBL205737 0.76 ALDH1A1 (0.50) ADRB2ADRB1ADRB3ALDH1A1MAPT
SCHEMBL2795524 0.75 HDAC8 (0.45) TGFBR1EPHX1
SCHEMBL2794690 0.75 HDAC8 (0.45) TGFBR1EPHX1
SCHEMBL2797000 0.75 HDAC8 (0.45) TGFBR1EPHX1
SCHEMBL6279179 0.73 TGFBR1 (0.49) TGFBR1ALDH1A1MAPTMME

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 TGFBR1 3355/4885ADRB2 1642/4885ADRB1 964/4885
US-20080051458-A1 Acyloxyalkyl carbamate prodrugs of alpha-amino acids, methods of synthesis and use ASNS, ASPH, DNPEP TGFBR1 3355/4885ADRB2 1642/4885ADRB1 964/4885

“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.