SCHEMBL1892403

SCHEMBL1892403

CCCC(=O)OC(C)OC(=O)NCCCP(C)(=O)O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 1/20 0.35
LMNA P02545 3/20 0.35
ACHE P22303 8/20 0.34
EPHX1 P07099 1/20 0.34
MMP2 P08253 1/20 0.34
ALOX15 P16050 1/20 0.33
LPAR1 Q92633 1/20 0.33
S1PR1 P21453 2/20 0.33
S1PR3 Q99500 2/20 0.33
S1PR2 O95136 1/20 0.33
S1PR4 O95977 1/20 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
SCHEMBL2948745 0.88 GABBR2 (0.37) TLR2LMNAACHEEPHX1MMP2
SCHEMBL2952566 0.87 TLR2 (0.36) TLR2LMNAACHEEPHX1MMP2
SCHEMBL1885982 0.82 ACHE (0.33) TLR2LMNAACHEEPHX1MMP2
SCHEMBL1884602 0.80 LMNA (0.34) LMNA
SCHEMBL1888061 0.80 LPAR2 (0.40) LMNAACHEEPHX1MMP2ALOX15
SCHEMBL1887582 0.80 MEN1 (0.33) LMNA
SCHEMBL2948184 0.79 CTSK (0.35)
SCHEMBL1892642 0.79 ACHE (0.44) TLR2ACHEEPHX1MMP2LPAR1
SCHEMBL1887525 0.78 LMNA (0.35) LMNA
SCHEMBL18848221 0.78 ALDH1A1 (0.36) LMNAACHEEPHX1ALOX15

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 TLR2 3565/4885LMNA 3723/4885ACHE 178/4885
US-20090124582-A1 Acyloxyalkyl Carbamate Prodrugs, Methods of Synthesis, and Use APEH, AASDHPPT, AGPS TLR2 3565/4885LMNA 3723/4885ACHE 178/4885

“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.