SCHEMBL2946394

SCHEMBL2946394

CCCC(=O)OCOC(=O)NCC(=O)CP(=O)(O)CC1CCCCC1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
CA9 Q16790 1/20 0.33
LMNA P02545 1/20 0.32
EPHX2 P34913 1/20 0.32
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31
EPHX1 P07099 1/20 0.30

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
SCHEMBL2946514 0.85 MMP8 (0.33) CA12CA1CA2MMP1MMP2
SCHEMBL2957939 0.84 ENO1 (0.33) CA12CA1CA2MMP1MMP2
SCHEMBL2951172 0.84 CA12 (0.34) CA12CA1CA2MMP1MMP2
SCHEMBL2954655 0.84 CTSK (0.35) CA12CA1CA2MMP1MMP2
SCHEMBL2956632 0.82 EPHX2 (0.38) CA12CA1CA2MMP1MMP2
SCHEMBL2948955 0.78 GABBR2 (0.34)
SCHEMBL2948784 0.78 METAP2 (0.32) LMNAKMT2A
SCHEMBL1886722 0.78 ALDH1A1 (0.32) MEN1MAPTKMT2A
SCHEMBL2958954 0.77 CA12 (0.34) CA12CA1CA2MMP1MMP2
SCHEMBL2957079 0.75 CTSK (0.37) CA12CA1CA2MMP1MMP2

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 CA12 631/4885CA1 44/4885CA2 235/4885
US-20080146526-A1 Acyloxyalkyl carbamate prodrugs, methods of synthesis and use APEH, NAPEPLD, AASDHPPT CA12 631/4885CA1 44/4885CA2 235/4885

“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.