SCHEMBL4792104

SCHEMBL4792104

CC(C)[C@@H]1C(=O)N(C(=O)OC(C)(C)C)CC(=O)N1C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G10 O15496 1/20 0.36
PLA2G5 P39877 1/20 0.36
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
ELANE P08246 2/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
KLK7 P49862 1/20 0.32
KLK5 Q9Y337 1/20 0.32
MAPT P10636 2/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 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
SCHEMBL14515887 0.79 CHRM2 (0.38) PLA2G10PLA2G5CHRM2CHRM1CHRM3
SCHEMBL34475689 0.79 CHRM2 (0.38) PLA2G10PLA2G5CHRM2CHRM1CHRM3
SCHEMBL30872679 0.74 PLA2G10 (0.50) PLA2G10PLA2G5CHRM2CHRM1CHRM3
SCHEMBL4796997 0.74 CHRM2 (0.43) CHRM2CHRM1CHRM3HDAC1HDAC6
SCHEMBL25047141 0.72 PDE4A (0.37) CHRM2CHRM1CHRM3HDAC1HDAC6
SCHEMBL3378115 0.72 CHRM2 (0.40) PLA2G10PLA2G5CHRM2CHRM1CHRM3
SCHEMBL14141084 0.72 CHRM2 (0.40) PLA2G10PLA2G5CHRM2CHRM1CHRM3
SCHEMBL31218507 0.72 CHRM2 (0.44) CHRM2CHRM1CHRM3HDAC1HDAC6
SCHEMBL2132631 0.69 KLK7 (0.33) PLA2G10PLA2G5CHRM2CHRM1CHRM3
SCHEMBL2132635 0.69 KLK7 (0.33) PLA2G10PLA2G5CHRM2CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2008125421-A1 TRANS-ANNULAR REARRANGEMENT OF ACTIVE LACTAMES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2008-10-23 WO 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 PLA2G10 2433/4885PLA2G5 620/4885CHRM2 388/4885

“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.