SCHEMBL3302910

SCHEMBL3302910

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

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 4/20 0.32
NFKB2 Q00653 4/20 0.32
RELA Q04206 4/20 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
SCHEMBL3692487 1.00 NFKB1 (0.32) NFKB1NFKB2RELA
SCHEMBL13391516 0.84 NFKB1 (0.31) NFKB1NFKB2RELA
SCHEMBL4563138 0.83 NFKB1 (0.32) NFKB1NFKB2RELA
SCHEMBL3306751 0.83 NFKB1 (0.32) NFKB1NFKB2RELA
SCHEMBL13409202 0.83 NFKB1 (0.32) NFKB1NFKB2RELA
SCHEMBL3303460 0.80 NFKB1 (0.30) NFKB1NFKB2RELA
SCHEMBL4429712 0.80 NFKB1 (0.30) NFKB1NFKB2RELA
SCHEMBL3306620 0.80 NFKB1 (0.30) NFKB1NFKB2RELA
SCHEMBL13391320 0.77 NFKB1 (0.30) NFKB1NFKB2RELA
SCHEMBL3300503 0.76 CYP1A2 (0.33)

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
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

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 NFKB1 691/4885NFKB2 907/4885RELA 169/4885

“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.