SCHEMBL5552801

SCHEMBL5552801

CC(CC(=O)O)Nc1nnc(-c2cc(Oc3cccc(C(F)(F)F)c3)cc(Oc3cccc(C(F)(F)F)c3)c2)s1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
USP2 O75604 2/20 0.39
USP8 P40818 1/20 0.39
TP53 P04637 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 3/20 0.39
GAA P10253 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
CTSA P10619 2/20 0.37
CACNA1B Q00975 1/20 0.37
PPARA Q07869 1/20 0.37

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
SCHEMBL5557857 0.89 KDM4E (0.43) MAPTUSP2TP53RXFP1ALDH1A1
SCHEMBL6153554 0.76 AKR1C3 (0.47) MAPTKDM4EGAANPSR1CYP1A2
SCHEMBL5557739 0.74 KDM4E (0.47) MAPTUSP2USP8RXFP1ALDH1A1
SCHEMBL5556608 0.71 ROCK2 (0.50) MAPTALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL9818994 0.71 PPARG (0.56) ALDH1A1KDM4EGAANPSR1PPARA
SCHEMBL5556610 0.70 AKR1C3 (0.44) MAPTUSP2TP53RXFP1ALDH1A1
SCHEMBL6154756 0.70 KDM4E (0.53) MAPTUSP2RXFP1ALDH1A1KDM4E
SCHEMBL5557359 0.70 MAPT (0.49) MAPTUSP2TP53ALDH1A1KDM4E
SCHEMBL6154124 0.69 ROCK1 (0.46) MAPTUSP2USP8TP53RXFP1
SCHEMBL6154121 0.69 ROCK1 (0.46) MAPTUSP2USP8TP53RXFP1

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 MAPT 4430/4885USP2 1906/4885USP8 1851/4885

“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.