SCHEMBL21471005

SCHEMBL21471005

CC(C)(C)OC(=O)NC[C@H](CN1C(=O)C=CC1=O)C(=O)ON1C(=O)CCC1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 2/20 0.37
SYK P43405 1/20 0.34
SERPINE1 P05121 1/20 0.34
AAK1 Q2M2I8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KMT2A Q03164 2/20 0.33
GAA P10253 2/20 0.33
MEN1 O00255 1/20 0.33
PCSK9 Q8NBP7 1/20 0.32
NFKB1 P19838 4/20 0.32
NFKB2 Q00653 4/20 0.32
RELA Q04206 4/20 0.32
MALT1 Q9UDY8 1/20 0.31
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 2/20 0.31
LMNA P02545 2/20 0.31
GFER P55789 1/20 0.30
HPGD P15428 2/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C19 P33261 1/20 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
SCHEMBL20276637 0.87 KMT2A (0.39) SYKSERPINE1AAK1L3MBTL1KMT2A
SCHEMBL16654975 0.83 AKT1 (0.37) AKT1SYKSERPINE1L3MBTL1KMT2A
SCHEMBL16654977 0.83 AKT1 (0.37) AKT1SYKSERPINE1L3MBTL1KMT2A
SCHEMBL24978375 0.83 AKT1 (0.37) AKT1SYKSERPINE1L3MBTL1KMT2A
SCHEMBL31004974 0.82 AKT1 (0.45) AKT1KMT2AGAAMEN1NFKB1
SCHEMBL11632667 0.81 L3MBTL1 (0.38) SYKSERPINE1L3MBTL1KMT2AGAA
SCHEMBL11632674 0.81 L3MBTL1 (0.38) SYKSERPINE1L3MBTL1KMT2AGAA
SCHEMBL6798906 0.78 L3MBTL1 (0.38) SYKSERPINE1AAK1L3MBTL1KMT2A
SCHEMBL5257223 0.78 L3MBTL1 (0.38) SYKSERPINE1AAK1L3MBTL1KMT2A
SCHEMBL880771 0.76 KMT2A (0.37) SYKSERPINE1AAK1L3MBTL1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190314519-A1 TARGETED DELIVERY OF NICOTINAMIDE ADENINE DINUCLEOTIDE SALVAGE PATHWAY INHIBITORS SEATTLE GENETICS, INC. (US) 2019-10-17 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-20190314519-A1 TARGETED DELIVERY OF NICOTINAMIDE ADENINE DINUCLEOTIDE SALVAGE PATHWAY INHIBITORS NAMPT, NME4, NNMT AKT1 327/4885SYK 3131/4885SERPINE1 1360/4885

“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.