SCHEMBL2485232

SCHEMBL2485232

CC(C)(C)OC(=O)NC(C(=O)OC(C)(C)C)C(=O)C1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.45
CTSK P43235 2/20 0.45
BTK Q06187 1/20 0.42
GAA P10253 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
EPHX1 P07099 1/20 0.40
CACNA1B Q00975 5/20 0.39
KMT2A Q03164 1/20 0.39
CA12 O43570 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
ITGB3 P05106 3/20 0.36
ITGA2B P08514 3/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL2483018 0.89 CYP1A2 (0.46) CTSSCTSKBTKGAAHDAC4
SCHEMBL4291920 0.88 CTSS (0.48) CTSSCTSKBTKGAAHDAC4
SCHEMBL9358337 0.81 KMT2A (0.49) CTSSCTSKBTKGAAHDAC4
SCHEMBL9358329 0.81 KMT2A (0.49) CTSSCTSKBTKGAAHDAC4
SCHEMBL6924668 0.80 BTK (0.43) CTSSCTSKBTKGAAHDAC4
SCHEMBL20470214 0.80 KMT2A (0.50) CTSSCTSKBTKGAAHDAC4
SCHEMBL22506480 0.80 KMT2A (0.50) CTSSCTSKBTKGAAHDAC4
SCHEMBL20470278 0.80 KMT2A (0.50) CTSSCTSKBTKGAAHDAC4
SCHEMBL2714461 0.79 CTSK (0.49) CTSSCTSKBTKHDAC4HDAC1
SCHEMBL6759376 0.79 CTSK (0.47) CTSSCTSKBTKGAAHDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304216-B2 Method for production of erythro-or threo-2-amino-3-hydroxypropionic acid ester, novel carbonyl reductase, gene for the reductase, vector, transformant, and method for production of optically active alcohol using those KANEKA CORPORATION (JP) 2012-11-06 US disclosed
EP-1995314-B1 METHOD FOR PRODUCTION OF ERYTHRO- OR THREO-2-AMINO-3-HYDROXYPROPIONIC ACID ESTER, NOVEL CARBONYL REDUCTASE, GENE FOR THE REDUCTASE, VECTOR, TRANSFORMANT, AND METHOD FOR PRODUCTION OF OPTICALLY ACTIVE ALCOHOL USING THOSE KANEKA CORP (JP) 2011-10-19 EP disclosed
US-20090186391-A1 Method for Production of Erythro-or threo-2-Amino-3-Hydroxypropionic Acid Ester, Novel Carbonyl Reductase, Gene for the Reductase, Vector, Transformant, and Method for Production of Optically Active Alcohol Using Those KANEKA CORPORATION (JP) 2009-07-23 US disclosed
EP-1995314-A1 METHOD FOR PRODUCTION OF ERYTHRO- OR THREO-2-AMINO-3-HYDROXYPROPIONIC ACID ESTER, NOVEL CARBONYL REDUCTASE, GENE FOR THE REDUCTASE, VECTOR, TRANSFORMANT, AND METHOD FOR PRODUCTION OF OPTICALLY ACTIVE ALCOHOL USING THOSE Kaneka Corporation (JP) 2008-11-26 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 (1 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-20090186391-A1 Method for Production of Erythro-or threo-2-Amino-3-Hydroxypropionic Acid Ester, Novel Carbonyl Reductase, Gene for the Reductase, Vector, Transformant, and Method for Production of Optically Active Alcohol Using Those ADH5, ADH1C, ADH1A CTSS 4782/4885CTSK 4790/4885BTK 4878/4885

“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.