SCHEMBL20764545

SCHEMBL20764545

CC(C)Oc1c(N=[N+]=[N-])ccc(C(=O)Nc2ccc(C(=O)OC(C)(C)C)cc2)c1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 2/20 0.39
▸ PLG P00747 1/20 0.37
▸ PLAU P00749 1/20 0.37
▸ MAPT P10636 5/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ EGLN1 Q9GZT9 1/20 0.37
▸ SLC6A3 Q01959 2/20 0.36
▸ ALDH1A1 P00352 6/20 0.35
▸ MAPK1 P28482 3/20 0.35
▸ SMN1; SMN2 Q16637 4/20 0.34
▸ NPC1 O15118 3/20 0.34
▸ RAB9A P51151 3/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ GAA P10253 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ F2R P25116 1/20 0.34
▸ PNLIP P16233 1/20 0.34
▸ HPGD P15428 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
SCHEMBL22099984 0.84 PLG (0.37) PLGPLAUSLC6A3F2RPNLIP
SCHEMBL20764507 0.81 STAT3 (0.45) STAT3PLGPLAUMAPTNPSR1
SCHEMBL20787423 0.73 STAT3 (0.43) STAT3PLGPLAUMAPTNPSR1
SCHEMBL31311063 0.70 SMN1; SMN2 (0.42) STAT3PLGMAPTNPSR1EGLN1
SCHEMBL31311112 0.69 MAPT (0.41) STAT3PLGMAPTNPSR1EGLN1
SCHEMBL29246257 0.69 CA1 (0.45) STAT3MAPTRAB9A
SCHEMBL17779609 0.67 MAPT (0.41) MAPTEGLN1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL30625926 0.66 MEN1 (0.49) MAPTNPSR1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL23666325 0.66 STAT3 (0.56) STAT3MAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL22440689 0.64 STAT3 (0.57) STAT3ALDH1A1SMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 STAT3 2392/4885PLG 2048/4885PLAU 1564/4885
US-20200190020-A1 NOVEL CYSTOBACTAMIDE DERIVATIVES CTH, CBS, SLC7A11 STAT3 2936/4885PLG 2688/4885PLAU 2260/4885

“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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