SCHEMBL2013763

SCHEMBL2013763

CCN1CC(C)(C)OC(=O)C1CC(=O)Nc1nc(C)c(C)s1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
RCE1 Q9Y256 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
POLB P06746 1/20 0.38
ALDH1A1 P00352 2/20 0.37
HSP90AA1 P07900 1/20 0.37
KMT2A Q03164 1/20 0.37
GAA P10253 1/20 0.37
SLC27A1 Q6PCB7 1/20 0.37
MAPK1 P28482 1/20 0.36
THRB P10828 1/20 0.36
NR3C1 P04150 1/20 0.36

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
SCHEMBL2013733 0.79 POLB (0.43) MAPTSMN1; SMN2NPC1RAB9APOLB
SCHEMBL2013591 0.78 ALDH1A1 (0.45) MAPTSMN1; SMN2NPC1RAB9APOLB
SCHEMBL2017437 0.78 MAPT (0.41) MAPTSMN1; SMN2POLBALDH1A1HSP90AA1
SCHEMBL2013308 0.76 MAPT (0.41) MAPTSMN1; SMN2POLBALDH1A1HSP90AA1
SCHEMBL2016096 0.76 SMN1; SMN2 (0.53) MAPTSMN1; SMN2NPC1RAB9APOLB
SCHEMBL2016657 0.75 MAPT (0.53) MAPTSMN1; SMN2POLBALDH1A1HSP90AA1
SCHEMBL2014050 0.74 MAPT (0.40) MAPTPOLBALDH1A1HSP90AA1KMT2A
SCHEMBL2013918 0.74 MAPT (0.40) MAPTSMN1; SMN2POLBALDH1A1HSP90AA1
SCHEMBL2015057 0.74 MAPT (0.43) MAPTSMN1; SMN2POLBALDH1A1HSP90AA1
SCHEMBL2012824 0.73 SMN1; SMN2 (0.45) MAPTSMN1; SMN2NPC1RAB9APOLB

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 809/4885SMN1; SMN2 4701/4885RCE1 339/4885

“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.