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Sugi Predict / Compounds / SCHEMBL22328134

SCHEMBL22328134

SCHEMBL22328134

NC(=O)[C@H](CCCCNC(=S)Nc1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1)NC(=O)CN1C[C@H](Cc2ccccc2)NC(=O)CN(C(=O)CCC(=O)O)C[C@H](CCC(=O)O)NC(=O)CN(C(=O)Cc2ccc3c(c2)OCO3)C[C@H](CCC(=O)O)NC(=O)CN(C(=O)CCC2CCCCC2)C[C@H](Cc2ccccc2)NC(=O)c2ccc(cc2)CSCCC1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHA2 P29317 2/20 1.00
▸ NFKBIA P25963 1/20 1.00
▸ AKT1 P31749 1/20 1.00
▸ PTGER2 P43116 2/20 0.75
▸ EGFR P00533 2/20 0.52
▸ HTR3A P46098 3/20 0.38
▸ FKBP1A P62942 4/20 0.37
▸ ELF3 P78545 2/20 0.36
▸ MED23 Q9ULK4 2/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ HSP90AB1 P08238 1/20 0.36
▸ TRAP1 Q12931 1/20 0.36
▸ ITGB3 P05106 1/20 0.36
▸ ITGA2B P08514 1/20 0.36
▸ CA12 O43570 2/20 0.35
▸ CA1 P00915 2/20 0.35
▸ CA2 P00918 2/20 0.35
▸ CA9 Q16790 2/20 0.35
▸ CA7 P43166 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
SCHEMBL22328137 0.95 EPHA2 (0.91) EPHA2NFKBIAAKT1PTGER2EGFR
SCHEMBL22328141 0.91 EPHA2 (0.83) EPHA2NFKBIAAKT1PTGER2EGFR
SCHEMBL22328139 0.88 PTGER2 (0.81) EPHA2NFKBIAAKT1PTGER2EGFR
SCHEMBL22730942 0.87 PTGER2 (0.81) EPHA2NFKBIAAKT1PTGER2EGFR
SCHEMBL22328133 0.87 PTGER2 (0.81) EPHA2NFKBIAAKT1PTGER2EGFR
SCHEMBL22328142 0.82 PTGER2 (0.74) EPHA2NFKBIAAKT1PTGER2EGFR
SCHEMBL22328123 0.82 PTGER2 (0.74) EPHA2NFKBIAAKT1PTGER2EGFR
SCHEMBL22328117 0.79 EPHA2 (1.00) EPHA2NFKBIAAKT1PTGER2EGFR
SCHEMBL22328136 0.72 EPHA2 (0.84) EPHA2NFKBIAAKT1PTGER2EGFR
SCHEMBL19003322 0.67 EPHA2 (0.75) EPHA2NFKBIAAKT1PTGER2EGFR

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 3 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
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 (3 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 1/4885NFKBIA 3054/4885AKT1 1661/4885
US-20200377552-A1 ONE-BEAD-TWO-COMPOUND MACROCYCLIC LIBRARY AND METHODS OF PREPARATION AND USE EPHA2, EPHA1, EPHB2 EPHA2 1/4885NFKBIA 3054/4885AKT1 1661/4885
US-10738082-B2 One-bead-two-compound macrocyclic library and methods of preparation and use EPHA2, EPHA1, EPHB2 EPHA2 1/4885NFKBIA 3054/4885AKT1 1661/4885

“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.