SCHEMBL1885646

SCHEMBL1885646

CP(=O)(O)C(O)CCNC(=O)OCCOC(=O)C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37
MMP2 P08253 1/20 0.36
MMP8 P22894 1/20 0.36
ALDH1A1 P00352 3/20 0.36
CHRM1 P11229 2/20 0.34
ACHE P22303 1/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
PKM P14618 1/20 0.34
HRH4 Q9H3N8 2/20 0.32
HRH3 Q9Y5N1 2/20 0.32
EPHX1 P07099 1/20 0.32
CHRNB2 P17787 2/20 0.32
CHRNB4 P30926 2/20 0.32
CHRNA3 P32297 2/20 0.32
CHRNA4 P43681 2/20 0.32

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
SCHEMBL1885832 0.90 ADRB2 (0.37) ADRB2ADRB1ADRB3MMP2MMP8
SCHEMBL1883587 0.87 ACHE (0.36) ADRB2ADRB1ADRB3MMP2MMP8
SCHEMBL1884821 0.80 ACHE (0.42) ALDH1A1ACHEHRH4HRH3
SCHEMBL1881070 0.79 GAA (0.38) ALDH1A1KMT2AMEN1PKM
SCHEMBL1891743 0.77 MMP2 (0.36) ADRB2ADRB1ADRB3MMP2MMP8
SCHEMBL5822249 0.76 ALDH1A1 (0.34) ADRB2ADRB1ADRB3ALDH1A1ACHE
SCHEMBL1882809 0.75 ALDH1A1 (0.37) ADRB2ADRB1ADRB3ALDH1A1KMT2A
SCHEMBL2954648 0.75 ACHE (0.49) ACHE
SCHEMBL1884857 0.74 ALDH1A1 (0.40) ADRB2ADRB1ADRB3ALDH1A1ACHE
SCHEMBL1892875 0.72 ADRB2 (0.43) ADRB2ADRB1ADRB3ALDH1A1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7935686-B2 Acyloxyalkyl carbamate prodrugs, methods of synthesis, and use XENOPORT, INC. (US) 2011-05-03 US disclosed
US-20090124582-A1 Acyloxyalkyl Carbamate Prodrugs, Methods of Synthesis, and Use XENOPORT, INC. (US) 2009-05-14 US disclosed
US-7494985-B2 Acyloxyalkyl carbamate prodrugs, methods of synthesis, and use XENOPORT, INC. (US) 2009-02-24 US disclosed
US-20060111325-A1 Acyloxyalkyl carbamate prodrugs, methods of synthesis, and use XENOPORT, INC. 2006-05-25 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-20060111325-A1 Acyloxyalkyl carbamate prodrugs, methods of synthesis, and use APEH, AASDHPPT, AGPS ADRB2 4345/4885ADRB1 3993/4885ADRB3 2931/4885
US-20090124582-A1 Acyloxyalkyl Carbamate Prodrugs, Methods of Synthesis, and Use APEH, AASDHPPT, AGPS ADRB2 4345/4885ADRB1 3993/4885ADRB3 2931/4885

“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.