SCHEMBL2947853

SCHEMBL2947853

O=C(NCCCP(=O)(O)CC1CCCCC1)OCOC(=O)C1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
CA9 Q16790 1/20 0.34
HRH4 Q9H3N8 4/20 0.33
HRH3 Q9Y5N1 4/20 0.33
EPHX1 P07099 2/20 0.33
NAAA Q02083 1/20 0.32
ALDH1A1 P00352 2/20 0.31
EPHX2 P34913 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
SCHEMBL2954877 0.91 HRH4 (0.40) CA12CA1CA2MMP1MMP2
SCHEMBL2948051 0.86 NAAA (0.43) EPHX1NAAAEPHX2
SCHEMBL2957743 0.85 MMP8 (0.33) CA12CA1CA2MMP1MMP2
SCHEMBL1890780 0.84 NAAA (0.37) NAAAALDH1A1EPHX2
SCHEMBL2956632 0.84 EPHX2 (0.38) CA12CA1CA2MMP1MMP2
SCHEMBL2959618 0.84 HRH4 (0.34) CA12CA1CA2MMP1MMP2
SCHEMBL2951172 0.81 CA12 (0.34) CA12CA1CA2MMP1MMP2
SCHEMBL2954879 0.81 CTSK (0.36) CA12CA1CA2MMP1MMP2
SCHEMBL2946312 0.79 ADRB2 (0.33) CA12CA1CA2MMP1MMP2
SCHEMBL2958042 0.78 METAP1 (0.32) ALDH1A1

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.