SCHEMBL5565367

SCHEMBL5565367

CO[C@H](CC(=O)OC(C)(C)C)[C@H](C)N(C)Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.41
AKT1 P31749 3/20 0.41
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
SLC6A2 P23975 1/20 0.39
HTR2A P28223 1/20 0.39
SLC6A4 P31645 1/20 0.39
ADRA1A P35348 1/20 0.39
OPRK1 P41145 1/20 0.39
SLC6A3 Q01959 1/20 0.39
KCNH2 Q12809 1/20 0.39
CTSL P07711 2/20 0.39
CTSB P07858 2/20 0.39
CTSS P25774 2/20 0.39
USP2 O75604 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ATM Q13315 1/20 0.38
HPGD P15428 1/20 0.38
MEN1 O00255 3/20 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
SCHEMBL5559510 0.88 AKT1 (0.39) RIPK1AKT1ADRA2BADRA2CSLC6A2
SCHEMBL18810468 0.85 USP2 (0.38) RIPK1AKT1ADRA2BADRA2CSLC6A2
SCHEMBL18522980 0.85 USP2 (0.38) RIPK1AKT1ADRA2BADRA2CSLC6A2
SCHEMBL5658170 0.85 USP2 (0.38) RIPK1AKT1ADRA2BADRA2CSLC6A2
SCHEMBL17144784 0.81 L3MBTL1 (0.42) AKT1SLC6A4CTSLCTSBCTSS
SCHEMBL17138249 0.81 L3MBTL1 (0.42) AKT1SLC6A4CTSLCTSBCTSS
SCHEMBL27496551 0.80 AKT1 (0.45) RIPK1AKT1ADRA2BADRA2CSLC6A2
SCHEMBL24837376 0.76 RIPK1 (0.38) RIPK1ADRA2BADRA2CSLC6A2HTR2A
SCHEMBL8397216 0.75 ABCB1 (0.48) CTSLCTSBCTSSALDH1A1KLK5
SCHEMBL16284416 0.75 ABCB1 (0.48) CTSLCTSBCTSSALDH1A1KLK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7312343-B2 N-benzyl-protected dialkyl acetal derivatives undergo desired aldol reaction with high diastereoselectivity using a Mukaiyama aldol reaction; intermediates in the synthesis of other products, including, e.g. Dolastatin 10 HOFFMANN-LA ROCHE INC. (US) 2007-12-25 US disclosed
US-7312343-B2 N-benzyl-protected dialkyl acetal derivatives undergo desired aldol reaction with high diastereoselectivity using a Mukaiyama aldol reaction; intermediates in the synthesis of other products, including, e.g. Dolastatin 10 HOFFMANN-LA ROCHE INC. (US) 2007-12-25 US disclosed
US-7312343-B2 N-benzyl-protected dialkyl acetal derivatives undergo desired aldol reaction with high diastereoselectivity using a Mukaiyama aldol reaction; intermediates in the synthesis of other products, including, e.g. Dolastatin 10 HOFFMANN-LA ROCHE INC. (US) 2007-12-25 US disclosed
EP-1756038-A1 SYNTHESIS OF AMINO-ALKOXY-HEPTANOIC ALKYL ESTER F.HOFFMANN-LA ROCHE AG (CH) 2007-02-28 EP disclosed
WO-2005118525-A1 SYNTHESIS OF AMINO-ALKOXY-HEPTANOIC ALKYL ESTER F.HOFFMANN-LA ROCHE AG (CH) 2005-12-15 WO disclosed
US-20050272665-A1 Synthesis of alpha-amino-beta-alkoxy-carboxylic acid esters F. HOFFMANN-LA ROCHE AG (CH) 2005-12-08 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-20050272665-A1 Synthesis of alpha-amino-beta-alkoxy-carboxylic acid esters ALDH7A1, BCAT1, BCAT2 RIPK1 4856/4885AKT1 1628/4885ADRA2B 420/4885

“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.