SCHEMBL21138155

SCHEMBL21138155

CC(C)Oc1cc(C(=O)O)ccc1NC(=O)c1ccc(NC(=O)c2ccc(NC(=O)CCC(=O)O)cc2)c(OC(C)C)c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EP300 Q09472 3/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ LMNA P02545 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ HIF1A Q16665 1/20 0.45
▸ BCL2 P10415 1/20 0.44
▸ BCL2L1 Q07817 1/20 0.44
▸ MCL1 Q07820 1/20 0.44
▸ BAK1 Q16611 1/20 0.44
▸ MAPT P10636 2/20 0.40
▸ HTT P42858 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ TOP2A P11388 1/20 0.40
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ MAPK1 P28482 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
SCHEMBL21137817 0.86 GAA (0.42) EP300SMN1; SMN2LMNAMAPTHTT
SCHEMBL24379797 0.86 EP300 (0.53) EP300SMN1; SMN2LMNAHIF1ABCL2
SCHEMBL16392463 0.85 EP300 (0.57) EP300LMNAHIF1ABCL2BCL2L1
SCHEMBL22571840 0.81 EP300 (0.47) EP300SMN1; SMN2HIF1ABCL2BCL2L1
SCHEMBL20786981 0.80 MITF (0.42) EP300SMN1; SMN2LMNAPOLBMCL1
SCHEMBL16369610 0.80 EP300 (0.63) EP300LMNAHIF1ABCL2BCL2L1
SCHEMBL17784953 0.79 EP300 (0.56) EP300LMNAHIF1ABCL2BCL2L1
SCHEMBL30625925 0.78 LMNA (0.47) SMN1; SMN2LMNAPOLBMAPTHTT
SCHEMBL17784957 0.78 EP300 (0.58) EP300LMNAHIF1ABCL2BCL2L1
SCHEMBL17775416 0.77 EP300 (0.48) EP300LMNAHIF1ABCL2BCL2L1

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 3359/4885SMN1; SMN2 4462/4885LMNA 4548/4885
US-10793600-B2 Cystobactamides CTH, SLC7A11, SULT2A1 EP300 3514/4885SMN1; SMN2 4430/4885LMNA 4545/4885

“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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