SCHEMBL17775434

SCHEMBL17775434

COC(=O)c1ccc(NC(=O)c2ccc(N)c(OC(C)C)c2OCc2ccccc2)c(OC(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ EP300 Q09472 2/20 0.49
▸ LNPEP Q9UIQ6 5/20 0.47
▸ TP53 P04637 1/20 0.45
▸ MDM2 Q00987 1/20 0.45
▸ LMNA P02545 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ BRD4 O60885 6/20 0.43
▸ BCL2 P10415 1/20 0.43
▸ BCL2L1 Q07817 1/20 0.43
▸ MCL1 Q07820 1/20 0.43
▸ BAK1 Q16611 1/20 0.43
▸ ERAP2 Q6P179 1/20 0.43
▸ TOP2A P11388 1/20 0.42
▸ MYC P01106 1/20 0.41
▸ MAX P61244 1/20 0.41

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
SCHEMBL21137809 0.89 EP300 (0.54) EP300LNPEPTP53MDM2LMNA
SCHEMBL17775433 0.86 MYC (0.54) EP300LMNAHPGDBRD4MYC
SCHEMBL16392534 0.85 EP300 (0.48) EP300LNPEPLMNAHPGDBCL2
SCHEMBL16392500 0.84 EP300 (0.52) EP300LNPEPLMNAHPGDBCL2
SCHEMBL19608160 0.81 EP300 (0.50) EP300BCL2BCL2L1MCL1BAK1
SCHEMBL16369635 0.79 MYC (0.62) EP300BRD4MYCMAX
SCHEMBL16392547 0.77 EP300 (0.48) EP300BCL2BCL2L1MCL1BAK1
SCHEMBL16369610 0.77 EP300 (0.63) EP300LMNABCL2BCL2L1MCL1
SCHEMBL19608100 0.76 EP300 (0.49) EP300BCL2BCL2L1MCL1BAK1
SCHEMBL16371049 0.76 MAPT (0.48) EP300LMNABCL2BCL2L1MCL1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11225503-B2 Crystobactamides Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2022-01-18 — — US disclosed
EP-3019615-B1 CYSTOBACTAMIDES HELMHOLTZ ZENTRUM INFEKTIONSFORSCHUNG GMBH (DE) 2021-04-07 — — EP disclosed
US-20200331964-A1 CYSTOBACTAMIDES HELMHOLTZ ZENTRUM INFEKTIONSFORSCHUNG GMBH (DE) 2020-10-22 — — US disclosed
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
US-20160145304-A1 CYSTOBACTAMIDES HELMHOLTZ-ZENTRUM FUR INFEKTIONSFORSCHUNG GMBH (DE) 2016-05-26 — — 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 (5 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-20160145304-A1 CYSTOBACTAMIDES CTH, SLC7A11, CBS EP300 3526/4885LNPEP 6/4885TP53 3832/4885
US-11225503-B2 Crystobactamides PKD2, SLC7A11, CTH EP300 4199/4885LNPEP 146/4885TP53 4725/4885
US-20190185514-A1 CYSTOBACTAMIDES CTH, SLC7A11, SULT2A1 EP300 3359/4885LNPEP 35/4885TP53 4203/4885
US-20200331964-A1 CYSTOBACTAMIDES CTH, SLC7A11, SULT2A1 EP300 3416/4885LNPEP 21/4885TP53 4413/4885
US-10793600-B2 Cystobactamides CTH, SLC7A11, SULT2A1 EP300 3514/4885LNPEP 42/4885TP53 4320/4885

“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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