SCHEMBL3285496

SCHEMBL3285496

COC(=O)c1ccc(N2CC(NC(=O)OC(C)(C)C)CC2=O)cc1C

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
POLB P06746 2/20 0.50
TP53 P04637 2/20 0.50
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.45

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
SCHEMBL12959505 0.85 LMNA (0.52) LMNAPOLBTP53MAPT
SCHEMBL16491314 0.85 POLB (0.58) LMNAPOLBTP53MAPT
SCHEMBL12959508 0.83 LMNA (0.52) LMNAPOLBTP53MAPT
SCHEMBL3286832 0.82 TP53 (0.48) LMNAPOLBTP53ALDH1A1GAA
SCHEMBL17967267 0.82 KMT2A (0.55) LMNAPOLBTP53MAPT
SCHEMBL19793290 0.82 KMT2A (0.55) LMNAPOLBTP53MAPT
SCHEMBL17967299 0.82 KMT2A (0.55) LMNAPOLBTP53MAPT
SCHEMBL12841253 0.80 TP53 (0.53) LMNAPOLBTP53MAPT
SCHEMBL3367166 0.79 LMNA (0.52) LMNAPOLBTP53MAPT
SCHEMBL3367168 0.79 LMNA (0.52) LMNAPOLBTP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7714000-B2 Substituted pyrrolidinones and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-11 US disclosed
US-20060217435-A1 New Substituted Pyrrolidinones and Their Use as Medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-09-28 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-20060217435-A1 New Substituted Pyrrolidinones and Their Use as Medicaments PYCR1, S100A9, REV1 LMNA 1767/4885POLB 124/4885TP53 3318/4885

“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.