SCHEMBL2957079

SCHEMBL2957079

CC(OC(=O)NCC(=O)CP(=O)(O)CC1CCCCC1)OC(=O)C(C)C

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.37
MMP8 P22894 3/20 0.33
MMP1 P03956 2/20 0.33
MMP2 P08253 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
MMP3 P08254 1/20 0.33
MMP9 P14780 1/20 0.33
CA9 Q16790 1/20 0.33
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CTSL P07711 2/20 0.31
CTSB P07858 2/20 0.31
CTSH P09668 2/20 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
SCHEMBL2956393 0.90 CTSK (0.36) CTSKMMP8MMP1MMP2CA12
SCHEMBL2948780 0.90 CTSK (0.36) CTSKMMP8MMP1MMP2CA12
SCHEMBL2958956 0.88 CTSK (0.36) CTSKMMP8MMP1MMP2CA12
SCHEMBL2956005 0.87 CTSK (0.36) CTSKMMP8MMP1MMP2CA12
SCHEMBL2954655 0.86 CTSK (0.35) CTSKMMP8MMP1MMP2CA12
SCHEMBL2946514 0.85 MMP8 (0.33) CTSKMMP8MMP1MMP2CA12
SCHEMBL2954390 0.82 CTSK (0.37) CTSKMMP8MMP1MMP2CA12
SCHEMBL2952958 0.79 CTSK (0.34) CTSKMMP2CA12CA1CA2
SCHEMBL1886838 0.78
SCHEMBL2951202 0.76 GABBR2 (0.33)

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 1342/4885MMP8 3569/4885MMP1 2685/4885
US-20080146526-A1 Acyloxyalkyl carbamate prodrugs, methods of synthesis and use APEH, NAPEPLD, AASDHPPT CTSK 1342/4885MMP8 3569/4885MMP1 2685/4885

“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.