SCHEMBL2013285

SCHEMBL2013285

CCC(C)NC(=O)CC1C(=O)OC(C)(C)CN1CC

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.38
POLB P06746 1/20 0.38
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.36
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 2/20 0.35
HSP90AA1 P07900 1/20 0.35
KDM4E B2RXH2 1/20 0.34
THRB P10828 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
TSHR P16473 1/20 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
SCHEMBL2013308 0.82 MAPT (0.41) MAPTPOLBKMT2AALDH1A1HSP90AA1
SCHEMBL2015184 0.82 ALDH1A1 (0.45) MAPTPOLBHSD17B10KMT2AALDH1A1
SCHEMBL2014050 0.80 MAPT (0.40) MAPTPOLBKMT2AALDH1A1HSP90AA1
SCHEMBL2013918 0.80 MAPT (0.40) MAPTPOLBKMT2AALDH1A1HSP90AA1
SCHEMBL2012033 0.79 MAPT (0.36) MAPTPOLBHTTKMT2AALDH1A1
SCHEMBL16168628 0.79 MAPT (0.36) MAPTPOLBKMT2AALDH1A1HSP90AA1
SCHEMBL2012998 0.77 L3MBTL1 (0.43) MAPTPOLBKMT2AALDH1A1MEN1
SCHEMBL2014705 0.77 MAPT (0.43) MAPTPOLBKMT2AALDH1A1HSP90AA1
SCHEMBL2014175 0.77 MAPT (0.35) MAPTPOLBKMT2AALDH1A1HSP90AA1
SCHEMBL2010964 0.76 MAPT (0.38) MAPTPOLBKMT2AALDH1A1HSP90AA1

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 MAPT 809/4885POLB 3581/4885HTT 3168/4885

“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.