SCHEMBL319209

SCHEMBL319209

COC(=O)c1ccc(F)c(-c2c(F)ccc(NC(=O)C(C)C)c2F)n1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 3/20 0.39
POLB P06746 2/20 0.38
PIM1 P11309 6/20 0.37
PIM3 Q86V86 6/20 0.37
PIM2 Q9P1W9 6/20 0.37
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 2/20 0.35
KDR P35968 1/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MDM4 O15151 1/20 0.34
TP53 P04637 1/20 0.34
IAPP P10997 1/20 0.34

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
SCHEMBL319162 0.88 NPC1 (0.38) KDM4ENPC1PIM1PIM3PIM2
SCHEMBL319384 0.86 IAPP (0.46) ALDH1A1NPC1POLBPIM1PIM3
SCHEMBL1711596 0.78 PIM1 (0.44) PIM1PIM3PIM2MAPT
SCHEMBL29599827 0.77 PIM2 (0.46) KDM4EPIM1PIM3PIM2MAPT
SCHEMBL320431 0.77 MAPT (0.37) ALDH1A1KDM4EPIM1PIM3PIM2
SCHEMBL15872950 0.77 PIM2 (0.46) KDM4EPIM1PIM3PIM2MAPT
SCHEMBL319437 0.77 AR (0.37) ALDH1A1PIM1PIM3PIM2MAPT
SCHEMBL15872828 0.76 MAPT (0.47) NPC1PIM1PIM3PIM2MAPT
SCHEMBL29600679 0.76 MAPT (0.47) NPC1PIM1PIM3PIM2MAPT
SCHEMBL318869 0.75 ERN1 (0.40) ALDH1A1PIM1PIM3PIM2MAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2590968-A1 CYCLIC ETHER COMPOUNDS USEFUL AS KINASE INHIBITORS Novartis AG (CH) 2013-05-15 EP disclosed
US-20130109682-A1 CYCLIC ETHER COMPOUNDS USEFUL AS KINASE INHIBITORS NOVARTIS AG (CH) 2013-05-02 US disclosed
US-20130109682-A1 CYCLIC ETHER COMPOUNDS USEFUL AS KINASE INHIBITORS NOVARTIS AG (CH) 2013-05-02 US disclosed
WO-2012004217-A1 CYCLIC ETHER COMPOUNDS USEFUL AS KINASE INHIBITORS NOVARTIS AG (CH) 2012-01-12 WO disclosed
WO-2012004217-A1 CYCLIC ETHER COMPOUNDS USEFUL AS KINASE INHIBITORS NOVARTIS AG (CH) 2012-01-12 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-20130109682-A1 CYCLIC ETHER COMPOUNDS USEFUL AS KINASE INHIBITORS PIM1, GSK3A, GSK3B ALDH1A1 2437/4885KDM4E 636/4885NPC1 2570/4885

“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.