SCHEMBL2947858

SCHEMBL2947858

CCCCP(=O)(O)CCCNC(=O)OCOC(=O)CCC

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACHE P22303 14/20 0.46
GABBR2 O75899 1/20 0.40
GABRR1 P24046 1/20 0.40
GABBR1 Q9UBS5 1/20 0.40
EPHX1 P07099 1/20 0.39
MMP2 P08253 1/20 0.39
LPAR1 Q92633 1/20 0.37

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
SCHEMBL2952568 0.89 ACHE (0.55) ACHE
SCHEMBL1892642 0.87 ACHE (0.44) ACHEEPHX1MMP2LPAR1
SCHEMBL2951176 0.84 ACHE (0.45) ACHEGABBR2GABRR1GABBR1EPHX1
SCHEMBL2958738 0.83 ACHE (0.44) ACHEGABBR2GABRR1GABBR1EPHX1
SCHEMBL2948955 0.82 GABBR2 (0.34) ACHEGABBR2GABRR1GABBR1LPAR1
SCHEMBL2956632 0.81 EPHX2 (0.38) ACHEEPHX1MMP2
SCHEMBL2948745 0.80 GABBR2 (0.37) ACHEGABBR2GABRR1GABBR1EPHX1
SCHEMBL2949141 0.79 GABBR2 (0.36) GABBR2GABRR1GABBR1LPAR1
SCHEMBL2952566 0.79 TLR2 (0.36) ACHEGABBR2GABRR1GABBR1EPHX1
SCHEMBL2948051 0.78 NAAA (0.43) ACHEEPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7749985-B2 Acyloxyalkyl carbamate prodrugs, methods of synthesis and use XENOPORT, INC. (US) 2010-07-06 US claimed
US-20090286759-A1 ACYLOXYALKYL CARBAMATE PRODRUGS, METHODS OF SYNTHESIS AND USE XENOPORT, INC. (US) 2009-11-19 US claimed
US-7749985-B2 Acyloxyalkyl carbamate prodrugs, methods of synthesis and use XENOPORT, INC. (US) 2010-07-06 US disclosed
US-20090286759-A1 ACYLOXYALKYL CARBAMATE PRODRUGS, METHODS OF SYNTHESIS AND USE XENOPORT, INC. (US) 2009-11-19 US disclosed
US-7585996-B2 Acyloxyalkyl carbamate prodrugs, methods of synthesis and use XENOPORT, INC. (US) 2009-09-08 US disclosed
US-20080146526-A1 Acyloxyalkyl carbamate prodrugs, methods of synthesis and use XENOPORT, INC. 2008-06-19 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-20090286759-A1 ACYLOXYALKYL CARBAMATE PRODRUGS, METHODS OF SYNTHESIS AND USE APEH, NAPEPLD, AASDHPPT ACHE 28/4885GABBR2 804/4885GABRR1 1069/4885
US-20080146526-A1 Acyloxyalkyl carbamate prodrugs, methods of synthesis and use APEH, NAPEPLD, AASDHPPT ACHE 28/4885GABBR2 804/4885GABRR1 1069/4885

“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.