SCHEMBL2014915

SCHEMBL2014915

CC(C)c1ccc(NC(=O)CC2C(=O)OC(C)(C)CN2C2CCCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
POLB P06746 3/20 0.44
TP53 P04637 6/20 0.42
MAPT P10636 5/20 0.42
THRB P10828 1/20 0.42
EPHX1 P07099 2/20 0.41
EPHX2 P34913 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HPGD P15428 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
SCHEMBL2013075 0.96 MAPT (0.43) ALDH1A1L3MBTL1POLBTP53MAPT
SCHEMBL2015104 0.84 MAPT (0.45) ALDH1A1L3MBTL1POLBTP53MAPT
SCHEMBL2016483 0.83 MAPT (0.44) ALDH1A1L3MBTL1POLBTP53MAPT
SCHEMBL2012897 0.82 MAPT (0.44) ALDH1A1L3MBTL1POLBTP53MAPT
SCHEMBL2011806 0.82 MAPT (0.53) ALDH1A1L3MBTL1POLBTP53MAPT
SCHEMBL12806134 0.81 MEN1 (0.43) ALDH1A1L3MBTL1POLBTP53MAPT
SCHEMBL2013171 0.81 MAPT (0.47) ALDH1A1L3MBTL1POLBTP53MAPT
SCHEMBL2013756 0.80 MAPT (0.46) ALDH1A1L3MBTL1POLBTP53MAPT
SCHEMBL2015937 0.80 MAPT (0.44) ALDH1A1L3MBTL1POLBTP53MAPT
SCHEMBL2016591 0.79 MAPT (0.43) ALDH1A1L3MBTL1POLBTP53MAPT

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 9 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
EP-2513069-A1 ANTIFUNGAL COMPOUNDS Katholieke Universiteit Leuven (BE) 2012-10-24 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
WO-2011072345-A1 ANTIFUNGAL COMPOUNDS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2011-06-23 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-20120252801-A1 ANTIFUNGAL COMPOUNDS ERG28, DPM1, CYP51A1 ALDH1A1 2899/4885L3MBTL1 4233/4885POLB 3581/4885

“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.