SCHEMBL20764589

SCHEMBL20764589

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(C(=O)O)cc2)c1O

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ MLYCD O95822 1/20 0.35
▸ EGLN1 Q9GZT9 1/20 0.35
▸ F11 P03951 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ DPP4 P27487 1/20 0.34
▸ USP30 Q70CQ3 1/20 0.34
▸ CHRM2 P08172 1/20 0.34
▸ CHRM3 P20309 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
SCHEMBL20764587 1.00 MMP2 (0.35) MMP2MEN1KMT2AMLYCDEGLN1
SCHEMBL22076702 0.98 MMP2 (0.34) MMP2MEN1KMT2AMLYCDEGLN1
SCHEMBL20787921 0.98 MMP2 (0.34) MMP2MEN1KMT2AMLYCDEGLN1
SCHEMBL20764471 0.97 MMP2 (0.37) MMP2MEN1KMT2AMLYCDEGLN1
SCHEMBL20764474 0.97 MMP2 (0.37) MMP2MEN1KMT2AMLYCDEGLN1
SCHEMBL20764547 0.96 MMP2 (0.37) MMP2MEN1KMT2AMLYCDRXFP1
SCHEMBL20764544 0.96 MMP2 (0.37) MMP2MEN1KMT2AMLYCDRXFP1
SCHEMBL20764489 0.96 MEN1 (0.41) MEN1KMT2ARXFP1
SCHEMBL20764488 0.96 MEN1 (0.41) MEN1KMT2ARXFP1
SCHEMBL20787942 0.95 LRRK2 (0.36) MMP2KMT2AF11

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 MMP2 1631/4885MEN1 2023/4885KMT2A 2115/4885
US-20200190020-A1 NOVEL CYSTOBACTAMIDE DERIVATIVES CTH, CBS, SLC7A11 MMP2 1862/4885MEN1 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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