SCHEMBL19365147

SCHEMBL19365147

CCNC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAALAD2 Q9Y3Q0 10/20 0.54
ESR1 P03372 2/20 0.53
PGR P06401 2/20 0.53
ESR2 Q92731 2/20 0.53
VDR P11473 1/20 0.49
CXCR4 P61073 1/20 0.45
NR1H2 P55055 1/20 0.45
PRMT5 O14744 2/20 0.44
WDR77 Q9BQA1 2/20 0.44
FTO Q9C0B1 2/20 0.44
FOLH1 Q04609 2/20 0.43
JAK2 O60674 1/20 0.42
KEAP1 Q14145 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
SCHEMBL15828667 0.94 ESR1 (0.51) NAALAD2ESR1PGRESR2VDR
SCHEMBL12122167 0.89 NAALAD2 (0.49) NAALAD2ESR1PGRESR2VDR
SCHEMBL20647847 0.88 NAALAD2 (0.50) NAALAD2ESR1PGRESR2VDR
SCHEMBL22958014 0.83 ESR1 (0.47) NAALAD2ESR1PGRESR2VDR
SCHEMBL18025617 0.83 NAALAD2 (0.52) NAALAD2ESR1PGRESR2VDR
SCHEMBL19365089 0.81 TSG101 (0.56) NAALAD2PRMT5WDR77
SCHEMBL24910738 0.77 NAALAD2 (0.63) NAALAD2CXCR4NR1H2FTOFOLH1
SCHEMBL21695190 0.76 FTO (0.64) NAALAD2NR1H2FTOJAK2KEAP1
SCHEMBL15828661 0.75 TSG101 (0.55) NAALAD2PRMT5WDR77
SCHEMBL25711649 0.74 NAALAD2 (0.60) NAALAD2CXCR4NR1H2FTOJAK2

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-9937267-B2 Methods of treating cancer using compounds containing a vascular disrupting agent INCANTHERA LTD (GB) 2018-04-10 US disclosed
US-20170266307-A1 Methods Of Treating Cancer Using Compounds Containing A Vascular Disrupting Agent ELLIPSES PHARMA LIMITED (GB) 2017-09-21 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-20170266307-A1 Methods Of Treating Cancer Using Compounds Containing A Vascular Disrupting Agent MMP10, MMP25, MMP26 NAALAD2 438/4885ESR1 3588/4885PGR 1891/4885

“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.