SCHEMBL2013733

SCHEMBL2013733

CCN1CC(C)(C)OC(=O)C1CC(=O)Nc1nnc(C(F)(F)F)s1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.43
HTT P42858 4/20 0.42
TSHR P16473 1/20 0.42
MAPT P10636 1/20 0.41
PKM P14618 2/20 0.41
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
S1PR2 O95136 1/20 0.40
GAA P10253 1/20 0.40
XBP1 P17861 1/20 0.40
RAB9A P51151 1/20 0.40
HIF1A Q16665 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
GLS O94925 1/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
KMT2A Q03164 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 0.79 MAPT (0.41) POLBMAPTSMN1; SMN2NPC1GAA
SCHEMBL2013591 0.76 ALDH1A1 (0.45) POLBMAPTLMNASMN1; SMN2NPC1
SCHEMBL2014705 0.76 MAPT (0.43) POLBMAPTLMNAMEN1KMT2A
SCHEMBL2016029 0.74 MAPT (0.40) POLBTSHRMAPTLMNASMN1; SMN2
SCHEMBL2013308 0.74 MAPT (0.41) POLBTSHRMAPTSMN1; SMN2MEN1
SCHEMBL2016657 0.73 MAPT (0.53) POLBMAPTPKMLMNASMN1; SMN2
SCHEMBL2013918 0.72 MAPT (0.40) POLBMAPTLMNASMN1; SMN2KMT2A
SCHEMBL2014050 0.72 MAPT (0.40) POLBMAPTGAAL3MBTL1KMT2A
SCHEMBL2016096 0.72 SMN1; SMN2 (0.53) POLBHTTTSHRMAPTLMNA
SCHEMBL2017437 0.71 MAPT (0.41) POLBMAPTLMNASMN1; SMN2KMT2A

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 POLB 3581/4885HTT 3168/4885TSHR 4849/4885

“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.