SCHEMBL2013075

SCHEMBL2013075

CC(C)c1ccc(NC(=O)CC2C(=O)OC(C)(C)CN2C2CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.43
TP53 P04637 2/20 0.43
THRB P10828 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 5/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
POLB P06746 2/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.39
KMT2A Q03164 2/20 0.38
GAA P10253 1/20 0.38
LMNA P02545 1/20 0.38
EPHX1 P07099 1/20 0.38
EPHX2 P34913 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL2014915 0.96 ALDH1A1 (0.46) MAPTTP53THRBL3MBTL1ALDH1A1
SCHEMBL2015104 0.86 MAPT (0.45) MAPTTP53THRBL3MBTL1ALDH1A1
SCHEMBL2016483 0.85 MAPT (0.44) MAPTTP53THRBL3MBTL1ALDH1A1
SCHEMBL2012897 0.84 MAPT (0.44) MAPTTP53THRBL3MBTL1ALDH1A1
SCHEMBL2011806 0.84 MAPT (0.53) MAPTTP53THRBL3MBTL1ALDH1A1
SCHEMBL12806134 0.82 MEN1 (0.43) MAPTTP53THRBL3MBTL1ALDH1A1
SCHEMBL2013171 0.82 MAPT (0.47) MAPTTP53THRBL3MBTL1ALDH1A1
SCHEMBL2015937 0.82 MAPT (0.44) MAPTTP53THRBL3MBTL1ALDH1A1
SCHEMBL2013756 0.82 MAPT (0.46) MAPTTP53THRBL3MBTL1ALDH1A1
SCHEMBL2016591 0.81 MAPT (0.43) MAPTTP53THRBL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2513069-B1 ANTIFUNGAL COMPOUNDS UNIV LEUVEN KATH (BE) 2014-10-15 EP claimed
EP-2513069-A1 ANTIFUNGAL COMPOUNDS Katholieke Universiteit Leuven (BE) 2012-10-24 EP claimed
US-20120252801-A1 ANTIFUNGAL COMPOUNDS KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2012-10-04 US claimed
WO-2011072345-A1 ANTIFUNGAL COMPOUNDS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2011-06-23 WO claimed
EP-2513069-B1 ANTIFUNGAL COMPOUNDS UNIV LEUVEN KATH (BE) 2014-10-15 EP disclosed
US-20120252801-A1 ANTIFUNGAL COMPOUNDS KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2012-10-04 US disclosed
US-20120252801-A1 ANTIFUNGAL COMPOUNDS KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2012-10-04 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-20120252801-A1 ANTIFUNGAL COMPOUNDS ERG28, DPM1, CYP51A1 MAPT 809/4885TP53 2714/4885THRB 4842/4885

“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.