SCHEMBL8415890

SCHEMBL8415890

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nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.42
MAPT P10636 2/20 0.41
KDM4E B2RXH2 2/20 0.41
THRB P10828 2/20 0.41
RECQL P46063 2/20 0.41
ALOX15 P16050 1/20 0.41
NFKB1 P19838 1/20 0.41
PTGS2 P35354 1/20 0.41
THPO P40225 1/20 0.41
BLM P54132 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 4/20 0.40
ADAM17 P78536 1/20 0.35
PYGL P06737 1/20 0.31
CYP2C9 P11712 1/20 0.31
PTGS1 P23219 2/20 0.31
CNR2 P34972 1/20 0.31
MMP12 P39900 1/20 0.30
CYP1A2 P05177 1/20 0.30
MMP2 P08253 3/20 0.30

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
SCHEMBL2515799 1.00 CA2 (0.42) CA2MAPTKDM4ETHRBRECQL
SCHEMBL1236539 1.00 CA2 (0.42) CA2MAPTKDM4ETHRBRECQL
SCHEMBL8357912 0.82 CA2 (0.43) CA2MAPTTHRBRECQLALDH1A1
SCHEMBL883447 0.82 CA2 (0.43) CA2MAPTTHRBRECQLALDH1A1
SCHEMBL12965979 0.82 ADAM17 (0.36) CA2MAPTKDM4ETHRBRECQL
SCHEMBL23155068 0.82 ADAM17 (0.36) CA2MAPTKDM4ETHRBRECQL
SCHEMBL25893507 0.81 KDM4E (0.39) CA2MAPTKDM4ETHRBRECQL
N-Acetyl Penicillamine SCHEMBL4468919 0.81 MAPT (0.43) CA2MAPTKDM4ETHRBRECQL
N-Acetyl Penicillamine SCHEMBL521764 0.81 MAPT (0.43) CA2MAPTKDM4ETHRBRECQL
N-Acetyl Penicillamine SCHEMBL34351 0.81 MAPT (0.43) CA2MAPTKDM4ETHRBRECQL

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-9095620-B2 Reagents NEKTAR THERAPEUTICS (US) 2015-08-04 US disclosed
US-20130005780-A1 CONTROLLED RELEASE PHARMACEUTICAL COMPOSITIONS OF TAPENTADOL LUPIN LIMITED (IN) 2013-01-03 US disclosed
US-8093231-B2 Sulfonylethyl phosphorodiamidates TELIK, INC. (US) 2012-01-10 US disclosed
US-20110071093-A1 Novel Reagents NEKTAR THERAPEUTICS (US) 2011-03-24 US disclosed
US-20100184989-A1 De Novo Synthesis of Conjugates NEKTAR THERAPEUTICS (US) 2010-07-22 US disclosed
US-20080039429-A1 SULFONYLETHYL PHOSPHORODIAMIDATES TELIK, INC. 2008-02-14 US disclosed
US-7262182-B2 Sulfonylethyl phosphorodiamidates TELIK, INC. (US) 2007-08-28 US disclosed
EP-0759475-B1 Method for the production of (R)-ter-leucine DEGUSSA (DE) 1999-08-25 EP disclosed
US-5707837-A Method of producing (R)-tertiary leucine DEGUSSA AKTIENGESELLSCHAFT (DE) 1998-01-13 US disclosed
EP-0759475-A1 Method for the production of (R)-ter-leucine DEGUSSA AG (DE) 1997-02-26 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 (4 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-20110071093-A1 Novel Reagents DNPEP, NGLY1, COG7 CA2 3546/4885MAPT 443/4885KDM4E 4837/4885
US-20130005780-A1 CONTROLLED RELEASE PHARMACEUTICAL COMPOSITIONS OF TAPENTADOL TPMT, NSUN3, SLC43A1 CA2 2783/4885MAPT 273/4885KDM4E 1042/4885
US-20100184989-A1 De Novo Synthesis of Conjugates ABCG2, UGT1A8, SLC7A5 CA2 4454/4885MAPT 81/4885KDM4E 4261/4885
US-20080039429-A1 SULFONYLETHYL PHOSPHORODIAMIDATES MTAP, TYMP, PHOSPHO1 CA2 3159/4885MAPT 3626/4885KDM4E 958/4885

“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.