SCHEMBL4790633

SCHEMBL4790633

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 6/20 0.34
KLK5 Q9Y337 5/20 0.32
NFKB1 P19838 4/20 0.32
NFKB2 Q00653 4/20 0.32
RELA Q04206 4/20 0.32
PRSS1 P07477 2/20 0.31
PRSS2 P07478 2/20 0.31
PRSS3 P35030 2/20 0.31
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30
RAB9A P51151 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
PLA2G10 O15496 1/20 0.30
PLA2G5 P39877 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA7 P43166 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
SCHEMBL3304638 0.78 GAA (0.33) KLK7KLK5
SCHEMBL4792299 0.72 NFKB1 (0.38) KLK7KLK5NFKB1NFKB2RELA
SCHEMBL3692487 0.70 NFKB1 (0.32) NFKB1NFKB2RELA
SCHEMBL3302910 0.70 NFKB1 (0.32) NFKB1NFKB2RELA
SCHEMBL16224738 0.68 KLK7 (0.40) KLK7KLK5NFKB1NFKB2RELA
SCHEMBL34475689 0.67 CHRM2 (0.38) KLK7KLK5NPC1ALDH1A1MAPT
SCHEMBL14515887 0.67 CHRM2 (0.38) KLK7KLK5NPC1ALDH1A1MAPT
SCHEMBL3305574 0.67 LIPE (0.36) NFKB1NFKB2RELAL3MBTL1
SCHEMBL13391516 0.67 NFKB1 (0.31) NFKB1NFKB2RELA
SCHEMBL2132631 0.66 KLK7 (0.33) KLK7KLK5NPC1ALDH1A1MAPT

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 KLK7 4324/4885KLK5 4555/4885NFKB1 691/4885

“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.