SCHEMBL14130636

SCHEMBL14130636

CC(C)N[C@H](C(=O)C(C)C)C(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 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
SCHEMBL19361685 1.00 TDP1 (0.32) TDP1
SCHEMBL20154151 0.82 ALDH1A1 (0.32)
SCHEMBL19361691 0.79 TDP1 (0.30) TDP1
SCHEMBL24312141 0.79
SCHEMBL14011640 0.78 CA2 (0.35) TDP1
SCHEMBL17484632 0.78 TDP1 (0.33) TDP1
SCHEMBL15592774 0.78 CA2 (0.35) TDP1
SCHEMBL25453253 0.78 CA2 (0.35) TDP1
SCHEMBL14143586 0.78 ADAM17 (0.32)
SCHEMBL24311690 0.77 TSHR (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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170275249-A1 SMALL LIPOPEPTIDOMIMETIC INHIBITORS OF GHRELIN O-ACYL TRANSFERASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2017-09-28 US disclosed
WO-2016044467-A1 SMALL LIPOPEPTIDOMIMETIC INHIBITORS OF GHRELIN O-ACYL TRANSFERASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-03-24 WO disclosed
US-20140309265-A1 MACROCYCLIC COMPOUNDS FOR INHIBITION OF INHIBITORS OF APOPTOSIS ENSEMBLE THERAPEUTICS (US) 2014-10-16 US disclosed
US-7399749-B2 Substituted prolines as inhibitors of hepatitis C virus NS3 serine protease SCHERING CORPORATION (US) 2008-07-15 US disclosed
US-7399749-B2 Substituted prolines as inhibitors of hepatitis C virus NS3 serine protease SCHERING CORPORATION (US) 2008-07-15 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 (2 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-20170275249-A1 SMALL LIPOPEPTIDOMIMETIC INHIBITORS OF GHRELIN O-ACYL TRANSFERASE LIPE, MBOAT4, GHSR TDP1 1492/4885
US-20140309265-A1 MACROCYCLIC COMPOUNDS FOR INHIBITION OF INHIBITORS OF APOPTOSIS API5, BIRC5, BAD TDP1 1917/4885

“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.