SCHEMBL2954879

SCHEMBL2954879

CC(OC(=O)NCCCP(=O)(O)CC1CCCCC1)OC(=O)C1CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.36
NAAA Q02083 1/20 0.33
MMP8 P22894 3/20 0.32
MMP2 P08253 2/20 0.32
MMP1 P03956 2/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
MMP3 P08254 1/20 0.32
MMP9 P14780 1/20 0.32
CA9 Q16790 1/20 0.32
CHRNB2 P17787 4/20 0.31
CHRNB4 P30926 4/20 0.31
CHRNA3 P32297 4/20 0.31
CHRNA4 P43681 4/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRM1 Q13255 1/20 0.31
EPHX2 P34913 1/20 0.31
CYP1A2 P05177 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
SCHEMBL2954390 0.88 CTSK (0.37) CTSKMMP8MMP2MMP1CA12
SCHEMBL2954650 0.88 NAAA (0.41) CTSKNAAAEPHX2CYP3A4EPHX1
SCHEMBL1884824 0.86 NAAA (0.35) CTSKNAAAMMP8MMP2MMP1
SCHEMBL2957645 0.86 CTSK (0.36) CTSKMMP8MMP2MMP1CA12
SCHEMBL2948184 0.85 CTSK (0.35) CTSKCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL2958956 0.82 CTSK (0.36) CTSKMMP8MMP2MMP1CA12
SCHEMBL2952272 0.81 CTSK (0.34) CTSKMMP2CA12CA1CA2
SCHEMBL2954877 0.81 HRH4 (0.40) NAAAMMP8MMP2MMP1CA12
SCHEMBL2947853 0.81 CA12 (0.34) NAAAMMP8MMP2MMP1CA12
SCHEMBL2954383 0.81 CTSK (0.33) CTSKCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7585996-B2 Acyloxyalkyl carbamate prodrugs, methods of synthesis and use XENOPORT, INC. (US) 2009-09-08 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 CTSK 1342/4885NAAA 4/4885MMP8 3569/4885
US-20080146526-A1 Acyloxyalkyl carbamate prodrugs, methods of synthesis and use APEH, NAPEPLD, AASDHPPT CTSK 1342/4885NAAA 4/4885MMP8 3569/4885

“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.