SCHEMBL10060330

SCHEMBL10060330

C[C@@H](C(=O)NC(C(=O)N1CCC[C@H]1CN(CCc1ccccc1)C(=O)CCCC(=O)N(CCc1ccccc1)C[C@@H]1CCCN1C(=O)[C@H](CCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)NC(=O)[C@H](C)N(C)C)C(C)(C)C)N(C)C

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 6/20 0.44
WDR77 Q9BQA1 6/20 0.44
NAALAD2 Q9Y3Q0 8/20 0.44
TSG101 Q99816 4/20 0.43
FOLH1 Q04609 2/20 0.41
NR1H2 P55055 1/20 0.41
MAP1LC3B Q9GZQ8 1/20 0.41

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
SCHEMBL11952927 1.00 PRMT5 (0.44) PRMT5WDR77NAALAD2TSG101FOLH1
SCHEMBL13747486 0.94 PRMT5 (0.46) PRMT5WDR77NAALAD2TSG101FOLH1
SCHEMBL10060515 0.94 PRMT5 (0.46) PRMT5WDR77NAALAD2TSG101FOLH1
SCHEMBL14262326 0.94 PRMT5 (0.46) PRMT5WDR77NAALAD2TSG101FOLH1
SCHEMBL13164737 0.89 PRMT5 (0.42) PRMT5WDR77NAALAD2TSG101FOLH1
SCHEMBL13203414 0.87 PRMT5 (0.46) PRMT5WDR77NAALAD2TSG101FOLH1
SCHEMBL12651696 0.84 TSG101 (0.38) PRMT5WDR77TSG101
SCHEMBL18754963 0.79 XIAP (0.35) PRMT5WDR77NAALAD2TSG101NR1H2
SCHEMBL14271924 0.76 NAALAD2 (0.50) PRMT5WDR77NAALAD2TSG101FOLH1
SCHEMBL13754061 0.76 NAALAD2 (0.52) PRMT5WDR77NAALAD2TSG101FOLH1

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-8163792-B2 IAP BIR domain binding compounds PHARMASCIENCE INC. (CA) 2012-04-24 US disclosed
US-20090192140-A1 IAP BIR DOMAIN BINDING COMPOUNDS AEGERA THERAPEUTICS INC. (CA) 2009-07-30 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-20090192140-A1 IAP BIR DOMAIN BINDING COMPOUNDS BIRC5, BIRC2, BIRC3 PRMT5 2094/4885WDR77 588/4885NAALAD2 1469/4885

“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.