SCHEMBL20764521

SCHEMBL20764521

CC(C)Oc1c(NC(=O)c2ccc(NC(=O)C(CC(N)=O)NC(=O)c3ccc(NC(=O)c4ccc(C#N)cc4)cc3)cc2)ccc(C(=O)Nc2ccc(S(=O)(=O)O)cc2)c1O

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ LMNA P02545 3/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ DPP4 P27487 1/20 0.34
▸ USP30 Q70CQ3 2/20 0.34
▸ CHRM2 P08172 1/20 0.34
▸ CHRM3 P20309 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ PRSS1 P07477 1/20 0.34
▸ ACR P10323 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
SCHEMBL20764517 1.00 CA2 (0.36) CA2MEN1KMT2ACA1LMNA
SCHEMBL20764471 0.91 MMP2 (0.37) MEN1KMT2ADPP4USP30CHRM2
SCHEMBL20764587 0.91 MMP2 (0.35) MEN1KMT2ADPP4USP30CHRM2
SCHEMBL20764474 0.91 MMP2 (0.37) MEN1KMT2ADPP4USP30CHRM2
SCHEMBL20764589 0.91 MMP2 (0.35) MEN1KMT2ADPP4USP30CHRM2
SCHEMBL20787469 0.91 PLAU (0.40) CA2MEN1KMT2ACA1LMNA
SCHEMBL20764547 0.90 MMP2 (0.37) MEN1KMT2ADPP4USP30CHRM2
SCHEMBL20764544 0.90 MMP2 (0.37) MEN1KMT2ADPP4USP30CHRM2
SCHEMBL22076737 0.89 NAMPT (0.41) MEN1KMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL22076738 0.89 NAMPT (0.41) MEN1KMT2ALMNASMN1; SMN2ALDH1A1

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 5 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
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
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

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 CA2 644/4885MEN1 2023/4885KMT2A 2115/4885
US-20200190020-A1 NOVEL CYSTOBACTAMIDE DERIVATIVES CTH, CBS, SLC7A11 CA2 740/4885MEN1 2097/4885KMT2A 2307/4885

“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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