SCHEMBL2952272

SCHEMBL2952272

CC(OC(=O)NC(O)CCP(=O)(O)CC1CCCCC1)OC(=O)C1CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.34
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
METAP1 P53582 1/20 0.31
CA12 O43570 2/20 0.30
CA1 P00915 2/20 0.30
CA2 P00918 2/20 0.30
MMP2 P08253 2/20 0.30
CA9 Q16790 2/20 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
SCHEMBL2954383 0.88 CTSK (0.33) CTSKCTSLCTSBCYP1A2CYP3A4
SCHEMBL2952958 0.88 CTSK (0.34) CTSKCTSLCTSBCYP1A2CYP3A4
SCHEMBL2949192 0.86 CTSK (0.38) CTSKCTSLCTSB
SCHEMBL2948636 0.86 CTSK (0.33) CTSKCTSLCTSBCYP1A2CYP3A4
SCHEMBL2946413 0.85 CTSK (0.37) CTSKCTSLCTSBCYP1A2CYP3A4
SCHEMBL2946312 0.82 ADRB2 (0.33) METAP1CA12CA1CA2MMP2
SCHEMBL2954879 0.81 CTSK (0.36) CTSKCYP1A2CYP3A4CA12CA1
SCHEMBL2958956 0.79 CTSK (0.36) CTSKCTSLCTSBCYP1A2CYP3A4
SCHEMBL2953188 0.78 CYP1A2 (0.33) CTSKCTSLCTSBCYP1A2CYP3A4
SCHEMBL1882628 0.76 CTSK (0.36) CTSKCTSLCTSB

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 1342/4885CTSL 336/4885CTSB 841/4885
US-20080146526-A1 Acyloxyalkyl carbamate prodrugs, methods of synthesis and use APEH, NAPEPLD, AASDHPPT CTSK 1342/4885CTSL 336/4885CTSB 841/4885

“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.