SCHEMBL3100174

SCHEMBL3100174

Cc1ccccc1C(=O)OC(C)OC(=O)NC1(C(=O)O)CC1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CXCR5 P32302 14/20 0.45
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
PYGL P06737 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
SCHEMBL3094682 0.84 NPC1 (0.43) CXCR5SMN1; SMN2KDM4EADRB2ADRB1
SCHEMBL3101727 0.80 TDP1 (0.41) CXCR5SMN1; SMN2ADRB2ADRB1ADRB3
SCHEMBL3100177 0.79 TSHR (0.43) CXCR5ADRB2ADRB1ADRB3NPC1
SCHEMBL3100600 0.76 TSHR (0.52) SMN1; SMN2ADRB2ADRB1ADRB3
SCHEMBL3093116 0.74 FAAH (0.44)
SCHEMBL3106415 0.72 SMN1; SMN2 (0.41) SMN1; SMN2KDM4EADRB2ADRB1ADRB3
SCHEMBL3106232 0.72 FAAH (0.46) SMN1; SMN2ADRB2ADRB1ADRB3
SCHEMBL3106067 0.72 MAPT (0.45) NPC1RAB9A
SCHEMBL3098003 0.72 SLC18A2 (0.30)
SCHEMBL3094600 0.72 NPC1 (0.41) CXCR5SMN1; SMN2KDM4EADRB2ADRB1

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 7 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
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 CXCR5 3783/4885SMN1; SMN2 2848/4885KDM4E 1492/4885
US-20080051458-A1 Acyloxyalkyl carbamate prodrugs of alpha-amino acids, methods of synthesis and use ASNS, ASPH, DNPEP CXCR5 3783/4885SMN1; SMN2 2848/4885KDM4E 1492/4885

“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.