SCHEMBL20764495

SCHEMBL20764495

C=CCOc1c(C(=O)O)ccc([N+](=O)[O-])c1OC(C)C

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.37
GAA P10253 1/20 0.37
EP300 Q09472 1/20 0.37
HIF1A Q16665 1/20 0.37
ALDH1A1 P00352 6/20 0.37
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36
KDM4E B2RXH2 6/20 0.36
TDP1 Q9NUW8 2/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
DTYMK P23919 1/20 0.35
HCAR3 P49019 1/20 0.34
PDK1 Q15118 1/20 0.34
PTGDR Q13258 1/20 0.34
DNMT1 P26358 1/20 0.34
CCR6 P51684 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34

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
SCHEMBL20764434 0.89 CYP3A4 (0.43) TSHRGAAEP300HIF1AALDH1A1
SCHEMBL20764437 0.87 MYC (0.41) TSHRGAAEP300HIF1AALDH1A1
SCHEMBL15956458 0.86 TSHR (0.40) TSHRGAAALDH1A1POLBRAB9A
SCHEMBL20764500 0.85 ALDH1A1 (0.34) GAAEP300HIF1AALDH1A1POLB
SCHEMBL17795680 0.85 ALDH1A1 (0.46) TSHRGAAEP300HIF1AALDH1A1
SCHEMBL28371567 0.83 CYP3A4 (0.38) TSHRGAAALDH1A1POLBRAB9A
SCHEMBL17368443 0.83 TSHR (0.48) TSHRGAAALDH1A1KDM4ETDP1
SCHEMBL16392499 0.82 AKR1C3 (0.45) EP300HIF1AALDH1A1POLBKDM4E
SCHEMBL16369625 0.81 CTSV (0.48) POLBTDP1KMT2AL3MBTL1
SCHEMBL20764503 0.81 EP300 (0.41) GAAEP300HIF1AALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4731306-A1 CYSTOBACTAMID DERIVATIVES Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2026-04-29 EP disclosed
WO-2025003147-A1 CYSTOBACTAMID DERIVATIVES Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2025-01-02 WO disclosed
CN-110997627-B Cyst amide derivatives 亥姆霍兹感染研究中心有限公司 2023-10-10 CN disclosed
US-11034648-B2 Cystobactamide derivatives HELMHOLTZ-ZENTRUM FÜR (DE) 2021-06-15 US disclosed
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
US-20200190020-A1 NOVEL CYSTOBACTAMIDE DERIVATIVES Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2020-06-18 US disclosed
CN-110997627-A Novel cystobacter amide derivatives 亥姆霍兹感染研究中心有限公司 2020-04-10 CN disclosed
WO-2019038405-A1 NOVEL CYSTOBACTAMIDE DERIVATIVES Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2019-02-28 WO 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 TSHR 1997/4885GAA 2916/4885EP300 3960/4885
US-20200190020-A1 NOVEL CYSTOBACTAMIDE DERIVATIVES CTH, CBS, SLC7A11 TSHR 2455/4885GAA 2558/4885EP300 4224/4885

“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.