SCHEMBL22328133

SCHEMBL22328133

CC(C)C[C@H]1CN(C(=O)CCCN)CC(=O)N[C@@H](Cc2ccccc2)CN(C(=O)CCC2CCCCC2)CC(=O)N[C@@H](CCC(=O)O)CN(C(=O)CCc2ccccc2)CC(=O)N[C@@H](C)CN(CC(=O)N[C@@H](CCCCNC(=S)Nc2ccc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)c2)C(N)=O)C(=O)CCSCc2ccc(cc2)C(=O)N1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 2/20 0.81
EPHA2 P29317 2/20 0.77
NFKBIA P25963 1/20 0.77
AKT1 P31749 1/20 0.77
EGFR P00533 2/20 0.44
FKBP1A P62942 3/20 0.39
HTR3A P46098 3/20 0.38
ELF3 P78545 2/20 0.37
MED23 Q9ULK4 2/20 0.37
TSG101 Q99816 3/20 0.36
HTRA2 O43464 1/20 0.36
HTRA1 Q92743 1/20 0.36
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35

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
SCHEMBL22730942 1.00 PTGER2 (0.81) PTGER2EPHA2NFKBIAAKT1EGFR
SCHEMBL22328123 0.96 PTGER2 (0.74) PTGER2EPHA2NFKBIAAKT1EGFR
SCHEMBL22328139 0.94 PTGER2 (0.81) PTGER2EPHA2NFKBIAAKT1EGFR
SCHEMBL22328142 0.94 PTGER2 (0.74) PTGER2EPHA2NFKBIAAKT1EGFR
SCHEMBL22328141 0.87 EPHA2 (0.83) PTGER2EPHA2NFKBIAAKT1EGFR
SCHEMBL22328134 0.87 EPHA2 (1.00) PTGER2EPHA2NFKBIAAKT1EGFR
SCHEMBL22328137 0.85 EPHA2 (0.91) PTGER2EPHA2NFKBIAAKT1EGFR
SCHEMBL22730944 0.79 EPHA2 (0.65) PTGER2EPHA2NFKBIAAKT1EGFR
SCHEMBL23598422 0.69 PTGER2 (0.66) PTGER2EPHA2NFKBIAAKT1EGFR
SCHEMBL23598456 0.69 PTGER2 (0.69) PTGER2EPHA2NFKBIAAKT1EGFR

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-10738082-B2 One-bead-two-compound macrocyclic library and methods of preparation and use UNIVERSITY OF SOUTH FLORIDA (US) 2020-08-11 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-10738082-B2 One-bead-two-compound macrocyclic library and methods of preparation and use EPHA2, EPHA1, EPHB2 PTGER2 187/4885EPHA2 1/4885NFKBIA 3054/4885

“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.