SCHEMBL5141925

SCHEMBL5141925

CCOC(=O)CC(=O)C(CC(C)C)C(=O)OCC

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.50
MGAM O43451 1/20 0.50
SI P14410 1/20 0.50
MGAM2 Q2M2H8 1/20 0.50
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
TRPA1 O75762 1/20 0.38
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 1/20 0.36
MME P08473 1/20 0.35
TSHR P16473 1/20 0.35
MMP8 P22894 2/20 0.34
MAPT P10636 1/20 0.34

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
Malonic Acid Diethyl Ester SCHEMBL8752087 0.89 MGAM (0.60) GAAMGAMSIMGAM2KMT2A
SCHEMBL5141943 0.84 GAA (0.48) GAAMGAMSIMGAM2KMT2A
SCHEMBL27617570 0.82 SOAT1 (0.39) GAAMGAMSIMGAM2KMT2A
SCHEMBL17134667 0.82 GAA (0.56) GAAMGAMSIMGAM2KMT2A
SCHEMBL335607 0.82 ALDH1A1 (0.43) GAAMGAMSIMGAM2KMT2A
SCHEMBL27617569 0.81 GAA (0.54) GAAMGAMSIMGAM2KMT2A
Malonic Acid Diethyl Ester SCHEMBL7365461 0.81 MGAM (0.60) GAAMGAMSIMGAM2KMT2A
SCHEMBL10807025 0.80 ALDH1A1 (0.42) GAAMGAMSIMGAM2KMT2A
SCHEMBL4715409 0.79 ALDH1A1 (0.43) GAAMGAMSIMGAM2KMT2A
SCHEMBL5145260 0.79 GAA (0.52) GAAMGAMSIMGAM2KMT2A

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 10 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
US-5109000-A THIOL CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS COLLAGENASE INHIBITOR BEECHAM GROUP P.L.C. (GB) 1992-04-28 US disclosed
EP-0273689-B1 DERIVATIVES OF N-(2-ALKYL-3-MERCAPTO-GLUTARYL) ALPHA-AMINO ACIDS AND THEIR USE AS COLLAGENASE INHIBITORS BEECHAM GROUP PLC (GB) 1991-11-27 EP disclosed
US-4937243-A TREATING CONNECTIVE TISSUE DISEASES BEECHAM GROUP P.L.C. (GB) 1990-06-26 US disclosed
EP-0273689-A2 Derivatives of N-(2-alkyl-3-mercapto-glutaryl) alpha-amino acids and their use as collagenase inhibitors BEECHAM GROUP PLC (GB) 1988-07-06 EP 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 GAA 846/4885MGAM 381/4885SI 34/4885
US-20050100993-A1 Methods for producing hydroxy amino acids and derivatives thereof ALDH7A1, BCKDK, HSD17B12 GAA 1352/4885MGAM 338/4885SI 159/4885
US-20050192439-A1 Methods for producing hydroxy amino acids, esters, and derivatives thereof ALDH7A1, BCKDK, ADH5 GAA 855/4885MGAM 386/4885SI 189/4885

“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.