SCHEMBL4911352

SCHEMBL4911352

CC(C)(C)OC(=O)N[C@@](C)(CCCO)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.53
NAALAD2 Q9Y3Q0 1/20 0.41
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
CTSK P43235 6/20 0.35
CTSS P25774 5/20 0.35
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
CA7 P43166 2/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
CA12 O43570 3/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 2/20 0.32
APLNR P35414 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
SCHEMBL9067717 1.00 TDP1 (0.53) TDP1NAALAD2MEN1GAAKMT2A
SCHEMBL28065098 0.89 TDP1 (0.43) TDP1NAALAD2MEN1GAAKMT2A
SCHEMBL25379547 0.86 CTSK (0.43) TDP1NAALAD2MEN1GAAKMT2A
SCHEMBL22905385 0.86 CTSK (0.43) TDP1NAALAD2MEN1GAAKMT2A
SCHEMBL28177271 0.86 CTSK (0.43) TDP1NAALAD2MEN1GAAKMT2A
SCHEMBL22518919 0.85 CTSK (0.43) TDP1NAALAD2MEN1GAAKMT2A
SCHEMBL4909422 0.85 NAALAD2 (0.40) TDP1NAALAD2MEN1GAAKMT2A
SCHEMBL22518918 0.85 CTSK (0.43) TDP1NAALAD2MEN1GAAKMT2A
SCHEMBL30705756 0.83 MEN1 (0.55) TDP1NAALAD2MEN1GAAKMT2A
SCHEMBL7059870 0.83 MEN1 (0.42) TDP1NAALAD2MEN1GAAKMT2A

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
CN-111138335-B Preparation method of optically active 2-methylproline 山东四环药业股份有限公司 2021-10-01 CN disclosed
CN-111138335-A Preparation method of optically active 2-methylproline 山东四环药业股份有限公司 2020-05-12 CN disclosed
CN-101959534-A Enzyme and receptor modulation CHROMA THERAPEUTICS LTD 2011-01-26 CN disclosed
US-20080045522-A1 OMEGA-AMINOALKYLAMIDES OF R-2-ARYL-PROPIONIC ACIDS AS INHIBITORS OF THE CHEMOTAXIS OF POLYMORPHONUCLEATE AND MONONUCLEATE CELLS DOMPE PHA.R.MA S.P.A. (IT) 2008-02-21 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-20080045522-A1 OMEGA-AMINOALKYLAMIDES OF R-2-ARYL-PROPIONIC ACIDS AS INHIBITORS OF THE CHEMOTAXIS OF POLYMORPHONUCLEATE AND MONONUCLEATE CELLS C5AR2, C3AR1, C5AR1 TDP1 3980/4885NAALAD2 1514/4885MEN1 4814/4885

“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.