SCHEMBL20764454

SCHEMBL20764454

C=CCOc1c(C(=O)Nc2ccc(C(=O)O)cc2)ccc(NC(=O)c2ccc(NC(=O)C(CC(=O)NC(c3ccccc3)(c3ccccc3)c3ccccc3)NC(=O)OCC3c4ccccc4-c4ccccc43)cc2)c1OC(C)C

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CASP1 P29466 1/20 0.34
▸ MDM4 O15151 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ CASP3 P42574 4/20 0.32
▸ PTPN1 P18031 3/20 0.32
▸ MDM2 Q00987 1/20 0.32
▸ NPC1 O15118 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ TLR2 O60603 1/20 0.30

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
SCHEMBL20764453 1.00 CASP1 (0.34) CASP1MDM4TP53CASP3PTPN1
SCHEMBL28376086 0.96 CASP1 (0.33) CASP1MDM4TP53CASP3PTPN1
SCHEMBL20764508 0.90 MDM4 (0.35) MDM4TP53CASP3PTPN1MDM2
SCHEMBL20764509 0.90 MDM4 (0.35) MDM4TP53CASP3PTPN1MDM2
SCHEMBL22076727 0.84 CD40 (0.39) NPC1POLBMAPTRAB9ASMN1; SMN2
SCHEMBL22076728 0.84 CD40 (0.39) NPC1POLBMAPTRAB9ASMN1; SMN2
SCHEMBL22076699 0.82 POLB (0.34) NPC1POLBMAPTRAB9ASMN1; SMN2
SCHEMBL22076701 0.82 POLB (0.34) NPC1POLBMAPTRAB9ASMN1; SMN2
SCHEMBL22076741 0.81 CD40 (0.40) NPC1POLBMAPTRAB9A
SCHEMBL20764469 0.81 MDM4 (0.43) MDM4TP53CASP3MDM2TLR2

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 CASP1 1543/4885MDM4 4343/4885TP53 3744/4885
US-20200190020-A1 NOVEL CYSTOBACTAMIDE DERIVATIVES CTH, CBS, SLC7A11 CASP1 1341/4885MDM4 4515/4885TP53 4050/4885

“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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