SCHEMBL20764508

SCHEMBL20764508

CC(C)Oc1c(NC(=O)c2ccc(NC(=O)[C@H](CC(=O)NC(c3ccccc3)(c3ccccc3)c3ccccc3)NC(=O)OCC3c4ccccc4-c4ccccc43)cc2)ccc(C(=O)Nc2ccc(C(=O)O)cc2)c1O

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MDM4 O15151 2/20 0.35
▸ TP53 P04637 2/20 0.35
▸ MDM2 Q00987 1/20 0.34
▸ PTPN1 P18031 4/20 0.34
▸ CASP3 P42574 3/20 0.33
▸ TLR2 O60603 1/20 0.32

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
SCHEMBL20764509 1.00 MDM4 (0.35) MDM4TP53MDM2PTPN1CASP3
SCHEMBL20764453 0.90 CASP1 (0.34) MDM4TP53MDM2PTPN1CASP3
SCHEMBL20764454 0.90 CASP1 (0.34) MDM4TP53MDM2PTPN1CASP3
SCHEMBL28376086 0.86 CASP1 (0.33) MDM4TP53MDM2PTPN1CASP3
SCHEMBL20764469 0.85 MDM4 (0.43) MDM4TP53MDM2CASP3TLR2
SCHEMBL20764467 0.85 MDM4 (0.43) MDM4TP53MDM2CASP3TLR2
SCHEMBL20764450 0.79 CASP3 (0.35) MDM4TP53CASP3TLR2
SCHEMBL22284883 0.77 MDM4 (0.42) MDM4TP53MDM2PTPN1CASP3
SCHEMBL17531773 0.77 MDM4 (0.42) MDM4TP53MDM2PTPN1CASP3
SCHEMBL19375786 0.77 MDM4 (0.43) MDM4TP53MDM2PTPN1CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11034648-B2 Cystobactamide derivatives HELMHOLTZ-ZENTRUM FÜR (DE) 2021-06-15 — — US disclosed
EP-3672937-A1 NOVEL CYSTOBACTAMIDE DERIVATIVES Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2020-07-01 — — EP disclosed
US-20200190020-A1 NOVEL CYSTOBACTAMIDE DERIVATIVES Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2020-06-18 — — US disclosed
WO-2019038405-A1 NOVEL CYSTOBACTAMIDE DERIVATIVES Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2019-02-28 — — WO 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-11034648-B2 Cystobactamide derivatives CTH, CBS, SLC7A11 MDM4 4343/4885TP53 3744/4885MDM2 3997/4885
US-20200190020-A1 NOVEL CYSTOBACTAMIDE DERIVATIVES CTH, CBS, SLC7A11 MDM4 4515/4885TP53 4050/4885MDM2 4389/4885

“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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