SCHEMBL21137809

SCHEMBL21137809

CC(C)Oc1cc(C(=O)O)ccc1NC(=O)c1ccc(NC(=O)c2ccc(N)c(OC(C)C)c2OCc2ccccc2)c(OC(C)C)c1O

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ EP300 Q09472 3/20 0.54
▸ BCL2 P10415 1/20 0.47
▸ BCL2L1 Q07817 1/20 0.47
▸ MCL1 Q07820 1/20 0.47
▸ BAK1 Q16611 1/20 0.47
▸ MYC P01106 2/20 0.45
▸ MAX P61244 1/20 0.45
▸ TP53 P04637 1/20 0.44
▸ MDM2 Q00987 1/20 0.44
▸ HIF1A Q16665 1/20 0.43
▸ BRD4 O60885 7/20 0.41
▸ TOP2A P11388 1/20 0.41
▸ LNPEP Q9UIQ6 1/20 0.41
▸ GCK P35557 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ RAB9A P51151 1/20 0.39

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
SCHEMBL17775434 0.89 EP300 (0.49) EP300BCL2BCL2L1MCL1BAK1
SCHEMBL16369610 0.86 EP300 (0.63) EP300BCL2BCL2L1MCL1BAK1
SCHEMBL16369635 0.82 MYC (0.62) EP300MYCMAXHIF1ABRD4
SCHEMBL16392463 0.82 EP300 (0.57) EP300BCL2BCL2L1MCL1BAK1
SCHEMBL24379797 0.79 EP300 (0.53) EP300BCL2BCL2L1MCL1BAK1
SCHEMBL16392500 0.78 EP300 (0.52) EP300BCL2BCL2L1MCL1BAK1
SCHEMBL17784957 0.77 EP300 (0.58) EP300BCL2BCL2L1MCL1BAK1
SCHEMBL17784953 0.77 EP300 (0.56) EP300BCL2BCL2L1MCL1BAK1
SCHEMBL11980738 0.77 EP300 (0.69) EP300BCL2BCL2L1MCL1BAK1
SCHEMBL17775433 0.76 MYC (0.54) EP300MYCMAXHIF1ABRD4

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-10793600-B2 Cystobactamides Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2020-10-06 — — US disclosed
US-20190185514-A1 CYSTOBACTAMIDES HELMHOLTZ ZENTRUM INFEKTIONSFORSCHUNG GMBH (DE) 2019-06-20 — — 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-20190185514-A1 CYSTOBACTAMIDES CTH, SLC7A11, SULT2A1 EP300 3359/4885BCL2 3703/4885BCL2L1 1668/4885
US-10793600-B2 Cystobactamides CTH, SLC7A11, SULT2A1 EP300 3514/4885BCL2 3856/4885BCL2L1 1795/4885

“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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