SCHEMBL20764496

SCHEMBL20764496

CC(C)Oc1c(NC(=O)c2ccc(NC(=O)c3ccc(NC(=O)[C@H](CC(N)=O)NC(=O)c4ccc(NC(=O)c5ccc(C#N)cn5)cc4)cc3)c(OC(C)C)c2O)ccc(C(=O)O)c1O

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ P4HTM Q9NXG6 3/20 0.35
▸ ALB P02768 1/20 0.34
▸ MMP2 P08253 1/20 0.34
▸ EGLN1 Q9GZT9 1/20 0.33
▸ F10 P00742 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ BACE1 P56817 2/20 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
SCHEMBL20764497 1.00 P4HTM (0.35) P4HTMALBMMP2EGLN1F10
SCHEMBL20764565 0.97 P4HTM (0.35) P4HTMALBMMP2EGLN1F10
SCHEMBL20764567 0.97 P4HTM (0.35) P4HTMALBMMP2EGLN1F10
SCHEMBL22100096 0.93 MMP2 (0.37) P4HTMALBMMP2EGLN1F10
SCHEMBL20764474 0.93 MMP2 (0.37) MMP2EGLN1MEN1KMT2A
SCHEMBL20764471 0.93 MMP2 (0.37) MMP2EGLN1MEN1KMT2A
SCHEMBL20764544 0.92 MMP2 (0.37) MMP2MEN1KMT2A
SCHEMBL20764547 0.92 MMP2 (0.37) MMP2MEN1KMT2A
SCHEMBL20764587 0.90 MMP2 (0.35) MMP2EGLN1MEN1KMT2A
SCHEMBL20764589 0.90 MMP2 (0.35) MMP2EGLN1MEN1KMT2A

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 6 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
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
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 P4HTM 934/4885ALB 1404/4885MMP2 1631/4885
US-20200190020-A1 NOVEL CYSTOBACTAMIDE DERIVATIVES CTH, CBS, SLC7A11 P4HTM 989/4885ALB 1613/4885MMP2 1862/4885

“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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