SCHEMBL18025617

SCHEMBL18025617

N=C(N)NCCC[C@H](NC(=O)CNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](CO)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NAALAD2 Q9Y3Q0 9/20 0.52
YWHAZ P63104 7/20 0.46
PRMT5 O14744 2/20 0.45
WDR77 Q9BQA1 2/20 0.45
ESR1 P03372 2/20 0.44
PGR P06401 2/20 0.44
ESR2 Q92731 2/20 0.44
VDR P11473 1/20 0.44
FOLH1 Q04609 2/20 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 0.83 ESR1 (0.51) NAALAD2YWHAZPRMT5WDR77ESR1
SCHEMBL19365147 0.83 NAALAD2 (0.54) NAALAD2PRMT5WDR77ESR1PGR
SCHEMBL20647847 0.82 NAALAD2 (0.50) NAALAD2YWHAZPRMT5WDR77ESR1
SCHEMBL12122167 0.82 NAALAD2 (0.49) NAALAD2YWHAZPRMT5WDR77ESR1
SCHEMBL22958014 0.76 ESR1 (0.47) NAALAD2YWHAZPRMT5WDR77ESR1
SCHEMBL24910738 0.75 NAALAD2 (0.63) NAALAD2FOLH1
SCHEMBL25711649 0.75 NAALAD2 (0.60) NAALAD2
SCHEMBL22863319 0.73 NAALAD2 (0.63) NAALAD2
SCHEMBL28564330 0.73 ALB (0.52) NAALAD2ESR1PGRESR2VDR
SCHEMBL31065620 0.73 ALB (0.52) NAALAD2ESR1PGRESR2VDR

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-9988492-B2 Methods for post-fabrication functionalization of poly(ester ureas) THE UNIVERSITY OF AKRON (US) 2018-06-05 US disclosed
US-20160237212-A1 METHODS FOR POST-FABRICATION FUNCTIONALIZATION OF POLY(ESTER UREAS) THE UNIVERSITY OF AKRON (US) 2016-08-18 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-20160237212-A1 METHODS FOR POST-FABRICATION FUNCTIONALIZATION OF POLY(ESTER UREAS) PTMS, MUSK, DSTYK NAALAD2 1515/4885YWHAZ 154/4885PRMT5 891/4885

“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.