SCHEMBL5556458

SCHEMBL5556458

CCC(C)[C@H](NC(=O)[C@@](C)(NC(=O)C(CC(=O)N(Cc1ccc(OC)cc1OC)OCc1ccccc1)CC(C)C)c1ccc2ccccc2c1)C(N)=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KMT2A Q03164 2/20 0.34
CTSD P07339 3/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
PSMB11 A5LHX3 3/20 0.33
PSMA7 O14818 3/20 0.33
PSMB1 P20618 3/20 0.33
PSMA1 P25786 3/20 0.33
PSMA2 P25787 3/20 0.33
PSMA3 P25788 3/20 0.33
PSMA4 P25789 3/20 0.33
PSMB8 P28062 3/20 0.33
PSMB9 P28065 3/20 0.33
PSMA5 P28066 3/20 0.33
PSMB4 P28070 3/20 0.33
PSMB6 P28072 3/20 0.33
PSMB5 P28074 3/20 0.33
PSMB10 P40306 3/20 0.33

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
SCHEMBL6240871 1.00 KDM4E (0.35) KDM4EALDH1A1KMT2ACTSDMEN1
SCHEMBL5557636 0.92 KDM4E (0.37) KDM4EALDH1A1KMT2ACTSDMEN1
SCHEMBL5557796 0.91 CTSD (0.35) KDM4EALDH1A1KMT2ACTSDMEN1
SCHEMBL5556455 0.81 CTSB (0.47) CTSDPSMB11PSMA7PSMB1PSMA1
SCHEMBL5556739 0.80 MMP2 (0.41) CTSDPTPN1MMP2MMP9MMP8
SCHEMBL5558759 0.78 MEN1 (0.37) KDM4EALDH1A1KMT2ACTSDMEN1
SCHEMBL5556660 0.78 MMP2 (0.50) PTPN1MMP2MMP9MMP8MMP1
SCHEMBL5557500 0.77 MMP2 (0.47) MMP2MMP9MMP8MMP1FCER2
SCHEMBL6245527 0.77 MMP2 (0.47) MMP2MMP9MMP8MMP1FCER2
SCHEMBL5552331 0.77 MMP2 (0.47) MMP2MMP9MMP8MMP1FCER2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070197577-A1 Inhibitors of anthrax lethal factor CENGENT THERAPEUTICS (US) 2007-08-23 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 (1 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-20070197577-A1 Inhibitors of anthrax lethal factor APAF1, ANTXR2, LITAF KDM4E 3630/4885ALDH1A1 4059/4885KMT2A 4006/4885

“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.