SCHEMBL2957645

SCHEMBL2957645

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.36
GHSR Q92847 1/20 0.32
CTSS P25774 1/20 0.32
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
CTSH P09668 1/20 0.32
EPHX1 P07099 1/20 0.32
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
HRH4 Q9H3N8 2/20 0.31
HRH3 Q9Y5N1 2/20 0.31
METAP1 P53582 1/20 0.31
BCHE P06276 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 0.87 CTSK (0.37) CTSKCTSLCTSBCTSHMMP8
SCHEMBL2954879 0.86 CTSK (0.36) CTSKEPHX1MMP8MMP2MMP1
SCHEMBL2948184 0.84 CTSK (0.35) CTSKCTSLCTSBBCHEEPHX2
SCHEMBL2956005 0.83 CTSK (0.36) CTSKCTSSCTSLCTSBCTSH
SCHEMBL2959618 0.82 HRH4 (0.34) GHSREPHX1MMP8MMP2MMP1
SCHEMBL2948636 0.82 CTSK (0.33) CTSKCTSSCTSLCTSBCTSH
SCHEMBL2946319 0.81 CTSK (0.33) CTSKCTSSCTSLCTSBCTSH
SCHEMBL2951050 0.80 GABBR2 (0.36) EPHX1MMP2MMP1
SCHEMBL2960087 0.79 CTSK (0.36) CTSKCTSLCTSBCTSHMMP8
SCHEMBL2952844 0.79 CTSK (0.36) CTSKCTSLCTSBCTSHMMP8

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 1342/4885GHSR 1394/4885CTSS 463/4885
US-20080146526-A1 Acyloxyalkyl carbamate prodrugs, methods of synthesis and use APEH, NAPEPLD, AASDHPPT CTSK 1342/4885GHSR 1394/4885CTSS 463/4885

“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.