SCHEMBL2957743

SCHEMBL2957743

CC(C)C(=O)OCOC(=O)NCCCP(=O)(O)CC1CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 3/20 0.33
MMP2 P08253 2/20 0.33
MMP1 P03956 2/20 0.33
SIGMAR1 Q99720 1/20 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
HRH4 Q9H3N8 3/20 0.33
HRH3 Q9Y5N1 3/20 0.33
CTSK P43235 1/20 0.33
EPHX2 P34913 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
GHSR Q92847 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
REN P00797 1/20 0.31
TSHR P16473 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
SCHEMBL2956632 0.85 EPHX2 (0.38) MMP8MMP2MMP1CA12CA1
SCHEMBL2959618 0.85 HRH4 (0.34) MMP8MMP2MMP1CA12CA1
SCHEMBL2954390 0.85 CTSK (0.37) MMP8MMP2MMP1CA12CA1
SCHEMBL2947853 0.85 CA12 (0.34) MMP8MMP2MMP1CA12CA1
SCHEMBL2960087 0.84 CTSK (0.36) MMP8MMP2MMP1CA12CA1
SCHEMBL2952844 0.84 CTSK (0.36) MMP8MMP2MMP1CA12CA1
SCHEMBL2946514 0.81 MMP8 (0.33) MMP8MMP2MMP1SIGMAR1CA12
SCHEMBL2953188 0.81 CYP1A2 (0.33) MMP8MMP2MMP1CA12CA1
SCHEMBL2956637 0.80 METAP1 (0.32) MMP2CA12CA1CA2CA9
SCHEMBL2951176 0.79 ACHE (0.45) MMP2

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 MMP8 3569/4885MMP2 1779/4885MMP1 2685/4885
US-20080146526-A1 Acyloxyalkyl carbamate prodrugs, methods of synthesis and use APEH, NAPEPLD, AASDHPPT MMP8 3569/4885MMP2 1779/4885MMP1 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.