SCHEMBL13636231

SCHEMBL13636231

C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.47
EPHX1 P07099 2/20 0.46
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
CTSK P43235 3/20 0.44
CTSS P25774 2/20 0.44
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA12 O43570 3/20 0.41
MMP2 P08253 2/20 0.41
CA9 Q16790 2/20 0.41
CA7 P43166 1/20 0.41
BTK Q06187 1/20 0.41
CYP2D6 P10635 1/20 0.41
KMT2A Q03164 1/20 0.40
AAK1 Q2M2I8 1/20 0.39
CA14 Q9ULX7 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL7264782 1.00 GAA (0.47) GAAEPHX1HDAC4HDAC1HDAC6
SCHEMBL4753064 1.00 GAA (0.47) GAAEPHX1HDAC4HDAC1HDAC6
SCHEMBL22506436 0.98 GAA (0.44) GAAEPHX1HDAC4HDAC1HDAC6
SCHEMBL22535888 0.98 GAA (0.44) GAAEPHX1HDAC4HDAC1HDAC6
SCHEMBL20470280 0.98 GAA (0.44) GAAEPHX1HDAC4HDAC1HDAC6
SCHEMBL4971674 0.98 GAA (0.44) GAAEPHX1HDAC4HDAC1HDAC6
SCHEMBL24388748 0.95 BTK (0.45) GAAEPHX1HDAC4HDAC1HDAC6
SCHEMBL14931125 0.95 BTK (0.45) GAAEPHX1HDAC4HDAC1HDAC6
SCHEMBL14923610 0.95 BTK (0.45) GAAEPHX1HDAC4HDAC1HDAC6
SCHEMBL14923540 0.92 CA1 (0.45) GAAHDAC4HDAC1HDAC6CTSK

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 2 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
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

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 GAA 3852/4885EPHX1 505/4885HDAC4 4194/4885

“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.