SCHEMBL12122107

SCHEMBL12122107

CNC(=O)[C@H](CCc1ccccc1)NC(=O)CNC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)CCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSG101 Q99816 16/20 0.54
PRMT5 O14744 4/20 0.51
WDR77 Q9BQA1 4/20 0.51

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
SCHEMBL15828661 0.95 TSG101 (0.55) TSG101PRMT5WDR77
SCHEMBL22958041 0.94 TSG101 (0.53) TSG101PRMT5WDR77
SCHEMBL19365089 0.91 TSG101 (0.56) TSG101PRMT5WDR77
SCHEMBL22958046 0.83 TSG101 (0.46) TSG101PRMT5WDR77
SCHEMBL12122167 0.83 NAALAD2 (0.49) PRMT5WDR77
SCHEMBL16904936 0.81 TSG101 (0.46) TSG101PRMT5WDR77
SCHEMBL7923683 0.79 TSG101 (0.43) TSG101PRMT5WDR77
SCHEMBL20647847 0.78 NAALAD2 (0.50) PRMT5WDR77
SCHEMBL21695192 0.77 OPRD1 (0.47)
SCHEMBL15828667 0.77 ESR1 (0.51) PRMT5WDR77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9358303-B2 Compounds containing a vascular disrupting agent INCANTHERA LTD (GB) 2016-06-07 US disclosed
US-8927486-B2 Compounds INCANTHERA LIMITED (GB) 2015-01-06 US disclosed
US-20140179592-A1 Compounds INCANTHERA LIMITED (GB) 2014-06-26 US disclosed
US-20110275554-A1 COMPOUNDS THE UNIVERSITY OF BRADFORD (GB) 2011-11-10 US disclosed
US-20100168036-A1 GROWTH FACTOR UNIVERSITY OF BRADFORD (GB) 2010-07-01 US disclosed
US-20100168036-A1 GROWTH FACTOR UNIVERSITY OF BRADFORD (GB) 2010-07-01 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 (3 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-20110275554-A1 COMPOUNDS ADAM17, MMP3, MMP25 TSG101 1043/4885PRMT5 2967/4885WDR77 4058/4885
US-20100168036-A1 GROWTH FACTOR HDGF, VEGFA, PGF TSG101 285/4885PRMT5 3996/4885WDR77 4623/4885
US-20140179592-A1 Compounds MMP9, MMP3, MMP10 TSG101 697/4885PRMT5 2207/4885WDR77 4518/4885

“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.