SCHEMBL828254

SCHEMBL828254

N#CCCOC(=O)CC1(CNC(=O)OC(OC(=O)c2ccccc2)c2ccccc2)CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.35
CTSL P07711 6/20 0.34
CTSS P25774 5/20 0.34
CTSB P07858 4/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
LMNA P02545 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
SCN1A P35498 1/20 0.34
SCN2A Q99250 1/20 0.34
SCN3A Q9NY46 1/20 0.34
EGLN2 Q96KS0 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL828459 0.86 CYP3A4 (0.37) CTSKCTSLCTSSCTSBLMNA
Acetic Acid SCHEMBL828255 0.85 CTSK (0.38) CTSKCTSLCTSSCTSBSLC6A4
SCHEMBL25331 0.84 GAA (0.39) SLC6A4SLC6A3LMNACYP1A2CYP2D6
SCHEMBL6886846 0.80 CTSK (0.35) CTSKCTSLCTSSCTSBSLC6A4
SCHEMBL26773 0.73 TSHR (0.40) CTSKLMNAEGLN2EGLN1KMT2A
SCHEMBL25883 0.73 LMNA (0.41) SLC6A4SLC6A3LMNACYP1A2CYP2D6
SCHEMBL4755060 0.73 KMT2A (0.39) CTSKCTSLCTSSCTSBSLC6A4
SCHEMBL25513 0.71 CYP2D6 (0.43) LMNACYP1A2CYP2D6SCN1ASCN2A
Acetic Acid SCHEMBL828460 0.71 ALDH1A1 (0.44) CTSKCTSLCTSSCTSBLMNA
SCHEMBL25845 0.70 CYP2D6 (0.41) LMNACYP1A2CYP2D6SCN1ASCN2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143437-B2 Methods for synthesis of prodrugs from 1-acyl-alkyl derivatives and compositions thereof XENOPORT, INC. (US) 2012-03-27 US disclosed
US-20090239950-A1 METHODS FOR SYNTHESIS OF PRODRUGS FROM 1-ACYL-ALKYL DERIVATIVES AND COMPOSITIONS THEREOF XENOPORT, INC. (US) 2009-09-24 US disclosed
US-7560483-B2 Methods for synthesis of prodrugs from 1-acyl-alkyl derivatives and compositions thereof XENOPORT, INC. (US) 2009-07-14 US disclosed
US-20050239725-A1 Methods for synthesis of prodrugs from 1-acyl-alkyl derivatives and compositions thereof XENOPORT, INC. 2005-10-27 US disclosed
US-6927036-B2 Methods for synthesis of prodrugs from 1-acyl-alkyl derivatives and compositions thereof XERO PORT, INC. (US) 2005-08-09 US disclosed
US-20030171303-A1 Methods for synthesis of prodrugs from 1-acyl-alkyl derivatives and compositions thereof ARBOR PHARMACEUTICALS, LLC 2003-09-11 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 (3 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-20090239950-A1 METHODS FOR SYNTHESIS OF PRODRUGS FROM 1-ACYL-ALKYL DERIVATIVES AND COMPOSITIONS THEREOF AADAC, UGT1A1, ABHD5 CTSK 1705/4885CTSL 1702/4885CTSS 1052/4885
US-20030171303-A1 Methods for synthesis of prodrugs from 1-acyl-alkyl derivatives and compositions thereof AADAC, UGT1A1, AGPAT5 CTSK 1704/4885CTSL 1575/4885CTSS 1028/4885
US-20050239725-A1 Methods for synthesis of prodrugs from 1-acyl-alkyl derivatives and compositions thereof AADAC, UGT1A1, ABHD5 CTSK 1705/4885CTSL 1702/4885CTSS 1052/4885

“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.