SCHEMBL5145261

SCHEMBL5145261

CCOC(=O)C(O)C(Cc1ccccc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.54
SLC1A3 P43003 1/20 0.51
SLC1A2 P43004 1/20 0.51
SLC1A1 P43005 1/20 0.51
L3MBTL1 Q9Y468 4/20 0.47
ALDH1A1 P00352 2/20 0.47
POLB P06746 2/20 0.47
HSD17B10 Q99714 2/20 0.47
LMNA P02545 2/20 0.47
CYP1A2 P05177 1/20 0.46
ACE P12821 1/20 0.46
PIN1 Q13526 1/20 0.45
EPHX2 P34913 1/20 0.45
PPARG P37231 1/20 0.45
TP53 P04637 1/20 0.45
TRPA1 O75762 1/20 0.45
NPY1R P25929 1/20 0.44
NPY2R P49146 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 2/20 0.44

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
SCHEMBL5143568 0.92 MMP8 (0.55) MMP8SLC1A3SLC1A2SLC1A1L3MBTL1
SCHEMBL5145270 0.87 MMP8 (0.54) MMP8SLC1A3SLC1A2SLC1A1L3MBTL1
SCHEMBL7420068 0.87 MMP8 (0.54) MMP8SLC1A3SLC1A2SLC1A1L3MBTL1
SCHEMBL27622664 0.87 MMP8 (0.56) MMP8SLC1A3SLC1A2SLC1A1L3MBTL1
SCHEMBL15016003 0.87 MMP8 (0.56) MMP8SLC1A3SLC1A2SLC1A1L3MBTL1
SCHEMBL6875049 0.86 MME (0.46) MMP8LMNAACEPPARGMEN1
SCHEMBL892960 0.84 MMP8 (0.61) MMP8SLC1A3SLC1A2SLC1A1L3MBTL1
SCHEMBL5085947 0.82 MMP8 (0.55) MMP8SLC1A3SLC1A2SLC1A1L3MBTL1
SCHEMBL7436297 0.81 SLC1A3 (0.63) SLC1A3SLC1A2SLC1A1HSD17B10CYP1A2
SCHEMBL3866544 0.81 SLC1A3 (0.63) SLC1A3SLC1A2SLC1A1HSD17B10CYP1A2

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-7301031-B2 Methods for producing hydroxy amino acids, esters, and derivatives thereof BIOCATALYTICS, INC. (US) 2007-11-27 US disclosed
US-7081535-B2 Hydroxy-amino acids BIOCATALYTICS, INC. (US) 2006-07-25 US disclosed
US-20050192439-A1 Methods for producing hydroxy amino acids, esters, and derivatives thereof CODEXIS, INC. 2005-09-01 US disclosed
US-20050100993-A1 Methods for producing hydroxy amino acids and derivatives thereof BIOCATALYTICS, INC. 2005-05-12 US disclosed
US-6833471-B2 Contacting beta-ketodiester having ketone and two esters with a ketoreductase under conditions permitting reduction of ketone to alcohol, regioselectively hydrolyzing one of ester groups to acid, converting acid or ester to amine BIOCATALYTICS, INC. 2004-12-21 US disclosed
US-20040053377-A1 Methods for producing hydroxy amino acids and derivatives thereof CODEXIS, INC. 2004-03-18 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-20040053377-A1 Methods for producing hydroxy amino acids and derivatives thereof HMGCR, HSD17B12, BCKDK MMP8 2298/4885SLC1A3 985/4885SLC1A2 1448/4885
US-20050100993-A1 Methods for producing hydroxy amino acids and derivatives thereof ALDH7A1, BCKDK, HSD17B12 MMP8 2240/4885SLC1A3 382/4885SLC1A2 466/4885
US-20050192439-A1 Methods for producing hydroxy amino acids, esters, and derivatives thereof ALDH7A1, BCKDK, ADH5 MMP8 2236/4885SLC1A3 526/4885SLC1A2 612/4885

“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.