SCHEMBL20764437

SCHEMBL20764437

C=CCOc1c(C(=O)O)ccc([N+](=O)[O-])c1OCC(C)C

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MYC P01106 4/20 0.41
MAX P61244 4/20 0.41
XDH P47989 1/20 0.38
EP300 Q09472 1/20 0.38
HIF1A Q16665 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
AR P10275 1/20 0.36
PELP1 Q8IZL8 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 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
SCHEMBL20764495 0.87 TSHR (0.37) EP300HIF1ARAB9AGAATSHR
SCHEMBL15956458 0.85 TSHR (0.40) NPC1RAB9ASMN1; SMN2GAATSHR
SCHEMBL20786980 0.83 MYC (0.36) MYCMAXXDHNPC1RAB9A
SCHEMBL17368443 0.82 TSHR (0.48) GAATSHRKDM4EALDH1A1KMT2A
SCHEMBL20764510 0.80 SMN1; SMN2 (0.48) MYCMAXEP300HIF1ANPC1
SCHEMBL11757420 0.79 TSHR (0.50) NPC1RAB9AGAATSHRKDM4E
SCHEMBL11757422 0.79 TSHR (0.50) NPC1RAB9AGAATSHRKDM4E
SCHEMBL20764434 0.77 CYP3A4 (0.43) EP300HIF1ANPC1RAB9ASMN1; SMN2
SCHEMBL15956169 0.74 CYP3A4 (0.44) RAB9ATSHRKDM4EALDH1A1KMT2A
SCHEMBL20764500 0.73 ALDH1A1 (0.34) EP300HIF1ANPC1RAB9ASMN1; SMN2

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 MYC 2583/4885MAX 4446/4885XDH 932/4885
US-20200190020-A1 NOVEL CYSTOBACTAMIDE DERIVATIVES CTH, CBS, SLC7A11 MYC 2813/4885MAX 4424/4885XDH 1246/4885

“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.