SCHEMBL3100600

SCHEMBL3100600

CC(OC(=O)Cc1ccccc1)OC(=O)NC1(C(=O)O)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
KLK7 P49862 6/20 0.40
FAAH O00519 1/20 0.38
CXCR2 P25025 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
PAM P19021 1/20 0.37
LPAR1 Q92633 1/20 0.37
CTSL P07711 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CTSB P07858 1/20 0.37
CTSS P25774 1/20 0.37
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36

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 0.88 FAAH (0.44) TSHRFAAHCXCR2ALDH1A1MEN1
SCHEMBL3106232 0.85 FAAH (0.46) FAAHLPAR1SMN1; SMN2ADRB2ADRB1
SCHEMBL3094682 0.80 NPC1 (0.43) TSHRALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL3098440 0.78 MMP1 (0.40)
SCHEMBL3100604 0.77 ALDH1A1 (0.47) TSHRALDH1A1MAPK1L3MBTL1MEN1
SCHEMBL3101911 0.77 LMNA (0.33) ALDH1A1
SCHEMBL3099269 0.77 FAAH (0.43) FAAHCXCR2ALDH1A1MEN1KMT2A
SCHEMBL3100174 0.76 CXCR5 (0.45) SMN1; SMN2ADRB2ADRB1ADRB3
SCHEMBL3103764 0.75 KMT2A (0.43) ALDH1A1L3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL3106497 0.75 LMNA (0.41) TSHRALDH1A1MAPK1MEN1KMT2A

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 TSHR 3356/4885KLK7 3801/4885FAAH 49/4885
US-20080051458-A1 Acyloxyalkyl carbamate prodrugs of alpha-amino acids, methods of synthesis and use ASNS, ASPH, DNPEP TSHR 3356/4885KLK7 3801/4885FAAH 49/4885

“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.