SCHEMBL1890780

SCHEMBL1890780

CP(=O)(O)CCCNC(=O)OCOC(=O)C1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.37
ALDH1A1 P00352 3/20 0.35
EPHX2 P34913 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
ACHE P22303 6/20 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
SCHEMBL1884821 0.90 ACHE (0.42) NAAAALDH1A1EPHX2SMN1; SMN2ACHE
SCHEMBL2948051 0.86 NAAA (0.43) NAAAEPHX2ACHE
SCHEMBL2947853 0.84 CA12 (0.34) NAAAALDH1A1EPHX2
SCHEMBL1885832 0.80 ADRB2 (0.37) NAAAALDH1A1SMN1; SMN2ADRB2ADRB1
SCHEMBL1884824 0.80 NAAA (0.35) NAAAEPHX2SMN1; SMN2
SCHEMBL1881697 0.80 ALDH1A1 (0.35) ALDH1A1ADRB2ADRB1ADRB3
SCHEMBL1891743 0.79 MMP2 (0.36) NAAAALDH1A1ADRB2ADRB1ADRB3
SCHEMBL18816752 0.78 ALDH1A1 (0.38) NAAAALDH1A1SMN1; SMN2ADRB2ADRB1
SCHEMBL1886217 0.77 ADRB2 (0.36) ALDH1A1ADRB2ADRB1ADRB3
SCHEMBL2954648 0.77 ACHE (0.49) NAAAEPHX2ACHE

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 NAAA 11/4885ALDH1A1 2138/4885EPHX2 747/4885
US-20090124582-A1 Acyloxyalkyl Carbamate Prodrugs, Methods of Synthesis, and Use APEH, AASDHPPT, AGPS NAAA 11/4885ALDH1A1 2138/4885EPHX2 747/4885

“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.