SCHEMBL5556645

SCHEMBL5556645

CCOC(=O)CC(CC(C)C)C(=O)NCCc1ccc(-c2ccc(OC)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.55
GLA P06280 1/20 0.55
MAPT P10636 5/20 0.49
LMNA P02545 4/20 0.49
ALDH1A1 P00352 2/20 0.49
GAA P10253 1/20 0.49
HPGD P15428 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
CTSS P25774 1/20 0.46
MMP2 P08253 2/20 0.45
MMP9 P14780 2/20 0.45
MMP8 P22894 1/20 0.45
MMP1 P03956 1/20 0.44
MMP3 P08254 1/20 0.44
TP53 P04637 1/20 0.44
POLB P06746 1/20 0.43

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
SCHEMBL5558701 0.90 MAPT (0.46) KMT2AGLAMAPTLMNAALDH1A1
SCHEMBL5556818 0.89 MMP8 (0.56) MMP2MMP9MMP8MMP1MMP3
SCHEMBL5556793 0.85 MMP2 (0.61) MAPTSMN1; SMN2MMP2MMP9MMP8
SCHEMBL5552337 0.85 MMP8 (0.47) MAPTMMP2MMP9MMP8TP53
SCHEMBL5552466 0.80 ATM (0.49) KMT2AALDH1A1MMP2MMP9MMP8
SCHEMBL5558599 0.78 MMP9 (0.57) MMP2MMP9MMP8MMP1
SCHEMBL10429968 0.76 MMP1 (0.77) MMP2MMP9MMP8MMP1MMP3
SCHEMBL5552342 0.76 MMP2 (0.60) MAPTMMP2MMP9MMP8MMP1
SCHEMBL4938953 0.75 SMN1; SMN2 (0.60) KMT2AGLAMAPTALDH1A1GAA
SCHEMBL4841051 0.74 CA2 (0.47) CTSSMMP2MMP9MMP8POLB

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-20070197577-A1 Inhibitors of anthrax lethal factor CENGENT THERAPEUTICS (US) 2007-08-23 US disclosed
WO-2005027856-A2 INHIBITORS OF ANTHRAX LETHAL FACTOR CENGENT THERAPEUTICS (US) 2005-03-31 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 (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 KMT2A 4006/4885GLA 334/4885MAPT 4430/4885

“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.