SCHEMBL2955261

SCHEMBL2955261

CCCCP(=O)(O)CCC(F)NC(=O)OCOC(=O)CCC

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 1/20 0.36
GABRR1 P24046 1/20 0.36
GABBR1 Q9UBS5 1/20 0.36
ENPP2 Q13822 7/20 0.33
LPAR3 Q9UBY5 4/20 0.33
LPAR1 Q92633 3/20 0.33
LPAR6 P43657 1/20 0.33
LPAR4 Q99677 1/20 0.33
LPAR5 Q9H1C0 1/20 0.33
LPAR2 Q9HBW0 1/20 0.33
PLA2G2A P14555 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
ATM Q13315 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
TRPV1 Q8NER1 1/20 0.31

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
SCHEMBL2955832 0.88 GABBR2 (0.36) GABBR2GABRR1GABBR1
SCHEMBL2949141 0.86 GABBR2 (0.36) GABBR2GABRR1GABBR1ENPP2LPAR3
SCHEMBL2948228 0.85 GABBR2 (0.34) GABBR2GABRR1GABBR1
SCHEMBL2954529 0.83 GABBR2 (0.34) GABBR2GABRR1GABBR1ENPP2LPAR3
SCHEMBL2946072 0.81 ALDH1A1 (0.32) GABBR2GABRR1GABBR1
SCHEMBL2951104 0.81 CTSL (0.31)
SCHEMBL2947858 0.78 ACHE (0.46) GABBR2GABRR1GABBR1LPAR1
SCHEMBL2947975 0.77 GABBR2 (0.35) GABBR2GABRR1GABBR1
SCHEMBL1889655 0.74 ALDH1A1 (0.35)
SCHEMBL2949114 0.73 GABBR2 (0.36) GABBR2GABRR1GABBR1SMN1; SMN2

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 GABBR2 804/4885GABRR1 1069/4885GABBR1 598/4885
US-20080146526-A1 Acyloxyalkyl carbamate prodrugs, methods of synthesis and use APEH, NAPEPLD, AASDHPPT GABBR2 804/4885GABRR1 1069/4885GABBR1 598/4885

“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.