SCHEMBL22730944

SCHEMBL22730944

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(N)=O)C(=O)CCSCc2ccc(cc2)C(=O)N1

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ EPHA2 P29317 2/20 0.65
▸ PTGER2 P43116 2/20 0.64
▸ EGFR P00533 2/20 0.63
▸ NFKBIA P25963 1/20 0.45
▸ AKT1 P31749 1/20 0.45

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
SCHEMBL19003330 0.88 PTGER2 (0.69) EPHA2PTGER2EGFRNFKBIAAKT1
SCHEMBL23598422 0.88 PTGER2 (0.66) EPHA2PTGER2EGFRNFKBIAAKT1
SCHEMBL23598456 0.88 PTGER2 (0.69) EPHA2PTGER2EGFRNFKBIAAKT1
SCHEMBL19003397 0.88 PTGER2 (0.66) EPHA2PTGER2EGFRNFKBIAAKT1
SCHEMBL19003414 0.86 PTGER2 (0.71) EPHA2PTGER2EGFRNFKBIAAKT1
SCHEMBL24157885 0.86 PTGER2 (0.71) EPHA2PTGER2EGFRNFKBIAAKT1
SCHEMBL19003325 0.86 PTGER2 (0.71) EPHA2PTGER2EGFRNFKBIAAKT1
SCHEMBL19003327 0.86 PTGER2 (0.71) EPHA2PTGER2EGFRNFKBIAAKT1
SCHEMBL19003323 0.86 PTGER2 (0.71) EPHA2PTGER2EGFRNFKBIAAKT1
SCHEMBL19003321 0.86 EPHA2 (0.75) EPHA2PTGER2EGFRNFKBIAAKT1

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-11149065-B2 One-bead-two-compound macrocyclic library and methods of preparation and use UNIVERSITY OF SOUTH FLORIDA (US) 2021-10-19 — — US disclosed
US-20200377552-A1 ONE-BEAD-TWO-COMPOUND MACROCYCLIC LIBRARY AND METHODS OF PREPARATION AND USE UNIVERSITY OF SOUTH FLORIDA 2020-12-03 — — 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 (2 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-11149065-B2 One-bead-two-compound macrocyclic library and methods of preparation and use EPHA2, EPHA1, EPHB2 EPHA2 1/4885PTGER2 187/4885EGFR 26/4885
US-20200377552-A1 ONE-BEAD-TWO-COMPOUND MACROCYCLIC LIBRARY AND METHODS OF PREPARATION AND USE EPHA2, EPHA1, EPHB2 EPHA2 1/4885PTGER2 187/4885EGFR 26/4885

“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.

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