SCHEMBL3305574

SCHEMBL3305574

CC(C)(C)OC(=O)NC1=C(O)CN(C(=O)OC(C)(C)C)C1=O

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 1/20 0.36
PIK3CA P42336 2/20 0.34
MTOR P42345 2/20 0.34
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ESR2 Q92731 1/20 0.32
GAA P10253 1/20 0.32
PTPN2 P17706 1/20 0.32
PTPN1 P18031 1/20 0.32
PTPN6 P29350 1/20 0.32
DRD2 P14416 1/20 0.31
USP2 O75604 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NR1H2 P55055 1/20 0.31

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
SCHEMBL31218507 0.69 CHRM2 (0.44) HDAC1HDAC6ESR2USP2SMN1; SMN2
SCHEMBL4796997 0.68 CHRM2 (0.43) HDAC1HDAC6ESR2USP2SMN1; SMN2
SCHEMBL30884530 0.67 PIK3CA (0.40) PIK3CAMTORGAADRD2SMN1; SMN2
SCHEMBL4790633 0.67 KLK7 (0.34) NFKB1NFKB2RELAL3MBTL1
SCHEMBL25047142 0.66 HDAC1 (0.34) HDAC1HDAC6ESR2USP2SMN1; SMN2
SCHEMBL21055130 0.66 ESR2 (0.53) PIK3CAMTORHDAC1ESR2NR1H2
SCHEMBL29314279 0.66 CHRM2 (0.33) HDAC1HDAC6L3MBTL1ESR2USP2
SCHEMBL13391275 0.65 NFKB1 (0.42) NFKB1NFKB2RELAHDAC1HDAC6
SCHEMBL29314278 0.65 HDAC1 (0.34) HDAC1HDAC6ESR2USP2SMN1; SMN2
SCHEMBL26627533 0.65 ESR2 (0.37) ESR2USP2SMN1; SMN2NR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8592587-B2 Transannular rearrangement of activated lactams CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2013-11-26 US disclosed
EP-2134681-B1 TRANS-ANNULAR REARRANGEMENT OF ACTIVE LACTAMES CENTRE NAT RECH SCIENT (FR) 2012-05-16 EP disclosed
US-20100099874-A1 TRANSANNULAR REARRANGEMENT OF ACTIVATED LACTAMS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS (FR) 2010-04-22 US disclosed
US-20100099874-A1 TRANSANNULAR REARRANGEMENT OF ACTIVATED LACTAMS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS (FR) 2010-04-22 US disclosed
US-20100099874-A1 TRANSANNULAR REARRANGEMENT OF ACTIVATED LACTAMS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS (FR) 2010-04-22 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-20100099874-A1 TRANSANNULAR REARRANGEMENT OF ACTIVATED LACTAMS C9, RPS4Y1, C5 LIPE 2910/4885PIK3CA 1281/4885MTOR 421/4885

“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.