SCHEMBL2954495

SCHEMBL2954495

CCCCP(=O)(O)CCC(O)NC(=O)OCOC(=O)C1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 0.34
CTSK P43235 2/20 0.33
ALDH1A1 P00352 2/20 0.33
NAAA Q02083 1/20 0.32
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
MAPT P10636 1/20 0.32
GABBR2 O75899 1/20 0.31
GABRR1 P24046 1/20 0.31
GABBR1 Q9UBS5 1/20 0.31
REN P00797 1/20 0.31
HTT P42858 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL2946072 0.88 ALDH1A1 (0.32) ADRB2ADRB1ADRB3CTSKALDH1A1
SCHEMBL2946312 0.84 ADRB2 (0.33) ADRB2ADRB1ADRB3
SCHEMBL2949192 0.84 CTSK (0.38) CTSKNAAACTSLCTSBGABBR2
SCHEMBL2948051 0.82 NAAA (0.43) NAAA
SCHEMBL2949141 0.80 GABBR2 (0.36) MAPTGABBR2GABRR1GABBR1
SCHEMBL2949114 0.80 GABBR2 (0.36) GABBR2GABRR1GABBR1
SCHEMBL2951139 0.79 NAAA (0.35) ADRB2ADRB1ADRB3ALDH1A1NAAA
SCHEMBL2948640 0.78 GABBR2 (0.35) GABBR2GABRR1GABBR1
SCHEMBL2948784 0.76 METAP2 (0.32) CTSKALDH1A1CTSLCTSBREN
SCHEMBL1886548 0.76 ADRB2 (0.40) ADRB2ADRB1ADRB3CTSKALDH1A1

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 ADRB2 4262/4885ADRB1 3644/4885ADRB3 3315/4885
US-20080146526-A1 Acyloxyalkyl carbamate prodrugs, methods of synthesis and use APEH, NAPEPLD, AASDHPPT ADRB2 4262/4885ADRB1 3644/4885ADRB3 3315/4885

“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.