SCHEMBL22100096

SCHEMBL22100096

CC(C)Oc1c(NC(=O)c2ccc(NC(=O)c3ccc(NC(=O)[C@H](CCC(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 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 2/20 0.37
▸ P4HTM Q9NXG6 2/20 0.34
▸ ALB P02768 1/20 0.34
▸ BACE1 P56817 3/20 0.33
▸ EGLN1 Q9GZT9 1/20 0.33
▸ KDM1A O60341 1/20 0.32
▸ F10 P00742 1/20 0.32
▸ CHRM2 P08172 1/20 0.32
▸ CHRM3 P20309 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31

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 0.93 P4HTM (0.35) MMP2P4HTMALBBACE1EGLN1
SCHEMBL20764496 0.93 P4HTM (0.35) MMP2P4HTMALBBACE1EGLN1
SCHEMBL22099928 0.93 MMP2 (0.41) MMP2EGLN1CHRM2CHRM3MEN1
SCHEMBL20764567 0.90 P4HTM (0.35) MMP2P4HTMALBEGLN1F10
SCHEMBL20764565 0.90 P4HTM (0.35) MMP2P4HTMALBEGLN1F10
SCHEMBL20764474 0.85 MMP2 (0.37) MMP2EGLN1CHRM2CHRM3MEN1
SCHEMBL20764471 0.85 MMP2 (0.37) MMP2EGLN1CHRM2CHRM3MEN1
SCHEMBL20764547 0.85 MMP2 (0.37) MMP2CHRM2CHRM3MEN1KMT2A
SCHEMBL20764544 0.85 MMP2 (0.37) MMP2CHRM2CHRM3MEN1KMT2A
SCHEMBL20764587 0.83 MMP2 (0.35) MMP2EGLN1CHRM2CHRM3MEN1

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 2 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-20200190020-A1 NOVEL CYSTOBACTAMIDE DERIVATIVES Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2020-06-18 — — US 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 MMP2 1631/4885P4HTM 934/4885ALB 1404/4885
US-20200190020-A1 NOVEL CYSTOBACTAMIDE DERIVATIVES CTH, CBS, SLC7A11 MMP2 1862/4885P4HTM 989/4885ALB 1613/4885

“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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