SCHEMBL2013591

SCHEMBL2013591

CCN1CC(C)(C)OC(=O)C1CC(=O)Nc1nc(C(C)(C)C)cs1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
POLB P06746 3/20 0.45
HSD17B10 Q99714 2/20 0.45
KMT2A Q03164 7/20 0.44
MEN1 O00255 5/20 0.44
LMNA P02545 3/20 0.44
MAPT P10636 3/20 0.44
RECQL P46063 1/20 0.44
ATAD2 Q6PL18 1/20 0.43
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALOX15 P16050 1/20 0.40
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
GAA P10253 1/20 0.39
CNR2 P34972 1/20 0.38
MAPK1 P28482 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
SCHEMBL2013763 0.78 MAPT (0.41) ALDH1A1POLBKMT2AMAPTSMN1; SMN2
SCHEMBL2013733 0.76 POLB (0.43) POLBKMT2AMEN1LMNAMAPT
SCHEMBL2016657 0.74 MAPT (0.53) ALDH1A1POLBKMT2AMEN1LMNA
SCHEMBL2013308 0.73 MAPT (0.41) ALDH1A1POLBKMT2AMEN1MAPT
SCHEMBL2015057 0.73 MAPT (0.43) ALDH1A1POLBKMT2ALMNAMAPT
SCHEMBL2014987 0.72 SMN1; SMN2 (0.64) ALDH1A1POLBHSD17B10KMT2AMEN1
SCHEMBL2012824 0.72 SMN1; SMN2 (0.45) ALDH1A1POLBKMT2ALMNAMAPT
SCHEMBL2010964 0.72 MAPT (0.38) ALDH1A1POLBKMT2AMEN1MAPT
SCHEMBL2013285 0.71 MAPT (0.38) ALDH1A1POLBHSD17B10KMT2AMEN1
SCHEMBL2015517 0.71 SMN1; SMN2 (0.47) ALDH1A1POLBKMT2AMAPTSMN1; SMN2

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 2899/4885POLB 3581/4885HSD17B10 3018/4885

“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.