SCHEMBL22099928

SCHEMBL22099928

CC(C)Oc1c(NC(=O)c2ccc(NC(=O)c3ccc(NC(=O)[C@H](CCC(N)=O)NC(=O)c4ccc(NC(=O)c5ccc(C#N)cc5)cc4)cc3)c(OC(C)C)c2O)ccc(C(=O)O)c1O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 1/20 0.41
▸ CHRM2 P08172 1/20 0.35
▸ CHRM3 P20309 1/20 0.35
▸ CA2 P00918 2/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ MLYCD O95822 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ EGLN1 Q9GZT9 1/20 0.34
▸ ITK Q08881 1/20 0.34
▸ RXFP1 Q9HBX9 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
SCHEMBL22100096 0.93 MMP2 (0.37) MMP2CHRM2CHRM3MEN1KMT2A
SCHEMBL20764474 0.92 MMP2 (0.37) MMP2CHRM2CHRM3MEN1KMT2A
SCHEMBL20764471 0.92 MMP2 (0.37) MMP2CHRM2CHRM3MEN1KMT2A
SCHEMBL20764547 0.91 MMP2 (0.37) MMP2CHRM2CHRM3MEN1KMT2A
SCHEMBL20764544 0.91 MMP2 (0.37) MMP2CHRM2CHRM3MEN1KMT2A
SCHEMBL20764587 0.89 MMP2 (0.35) MMP2CHRM2CHRM3MEN1KMT2A
SCHEMBL20764589 0.89 MMP2 (0.35) MMP2CHRM2CHRM3MEN1KMT2A
SCHEMBL22076702 0.87 MMP2 (0.34) MMP2MEN1KMT2AMLYCDEGLN1
SCHEMBL20787921 0.87 MMP2 (0.34) MMP2MEN1KMT2AMLYCDEGLN1
SCHEMBL31311148 0.85 MEN1 (0.36) MMP2CHRM2CHRM3MEN1KMT2A

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 1631/4885CHRM2 2888/4885CHRM3 3381/4885
US-20200190020-A1 NOVEL CYSTOBACTAMIDE DERIVATIVES CTH, CBS, SLC7A11 MMP2 1862/4885CHRM2 3775/4885CHRM3 4187/4885

“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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