SCHEMBL1391454

SCHEMBL1391454

COC(=O)c1ccc(N)c(NC(=O)[C@H](C)NC(=O)OC(C)(C)C)c1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 5/20 0.53
LNPEP Q9UIQ6 9/20 0.53
ERAP2 Q6P179 3/20 0.53
HDAC1 Q13547 1/20 0.48
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 2/20 0.47
LMNA P02545 1/20 0.44
KMT2A Q03164 1/20 0.42

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
SCHEMBL1391452 1.00 AAK1 (0.53) AAK1LNPEPERAP2HDAC1KDM4E
SCHEMBL12433335 0.89 AAK1 (0.54) AAK1LNPEPERAP2
SCHEMBL1390928 0.87 KDM4E (0.48) AAK1LNPEPERAP2HDAC1KDM4E
SCHEMBL1390927 0.87 KDM4E (0.48) AAK1LNPEPERAP2HDAC1KDM4E
SCHEMBL16709740 0.86 KDM4E (0.47) AAK1LNPEPERAP2KDM4EALDH1A1
SCHEMBL6296452 0.86 AAK1 (0.74) AAK1LNPEPERAP2HDAC1
SCHEMBL1390543 0.85 KDM4E (0.45) AAK1LNPEPERAP2KDM4EALDH1A1
SCHEMBL1390542 0.85 KDM4E (0.45) AAK1LNPEPERAP2KDM4EALDH1A1
SCHEMBL1206766 0.84 LNPEP (0.59) AAK1LNPEPERAP2HDAC1KDM4E
SCHEMBL13497769 0.83 KDM4E (0.46) AAK1LNPEPERAP2KDM4EALDH1A1

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-8501804-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-08-06 US disclosed
US-20120010247-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-12 US disclosed
EP-2351743-A1 BICYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-08-03 EP 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-20120010247-A1 BICYCLIC COMPOUND ACACA, CPT1B, ACACB AAK1 415/4885LNPEP 3257/4885ERAP2 2423/4885

“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.