SCHEMBL22958014

SCHEMBL22958014

C[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCc1ccccc1)NC(=O)CNC(=O)[C@@H](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)[C@@H](C)CCNC(N)=O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.47
PGR P06401 2/20 0.47
ESR2 Q92731 2/20 0.47
NAALAD2 Q9Y3Q0 5/20 0.45
PRMT5 O14744 2/20 0.44
WDR77 Q9BQA1 2/20 0.44
VDR P11473 1/20 0.42
YWHAZ P63104 6/20 0.40
CXCR4 P61073 1/20 0.39
NR1H2 P55055 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
FOLH1 Q04609 1/20 0.38

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
SCHEMBL20647847 0.91 NAALAD2 (0.50) ESR1PGRESR2NAALAD2PRMT5
SCHEMBL12122167 0.90 NAALAD2 (0.49) ESR1PGRESR2NAALAD2PRMT5
SCHEMBL15828667 0.84 ESR1 (0.51) ESR1PGRESR2NAALAD2PRMT5
SCHEMBL19365147 0.83 NAALAD2 (0.54) ESR1PGRESR2NAALAD2PRMT5
SCHEMBL22958041 0.81 TSG101 (0.53) PRMT5WDR77
SCHEMBL11912054 0.77 ESR1 (0.41) ESR1PGRESR2PRMT5WDR77
SCHEMBL18025617 0.76 NAALAD2 (0.52) ESR1PGRESR2NAALAD2PRMT5
SCHEMBL7917872 0.74 ESR1 (0.40) ESR1PGRESR2NAALAD2PRMT5
SCHEMBL17430649 0.74 NAALAD2 (0.51) NAALAD2PRMT5WDR77YWHAZCXCR4
SCHEMBL15828661 0.69 TSG101 (0.55) NAALAD2PRMT5WDR77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10912839-B2 Methods of treating cancer using compounds containing a vascular disrupting agent ELLIPSES PHARMA LIMITED (GB) 2021-02-09 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-10912839-B2 Methods of treating cancer using compounds containing a vascular disrupting agent MMP10, MMP25, MMP26 ESR1 3588/4885PGR 1891/4885ESR2 3160/4885

“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.