SCHEMBL14784231

SCHEMBL14784231

CC(OCc1ccccc1)(C(=O)NNC(=O)c1nc(C(F)(F)F)c(C(F)(F)F)nc1N)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.36
PDK2 Q15119 1/20 0.36
PDK3 Q15120 1/20 0.36
PDK4 Q16654 1/20 0.36
CFTR P13569 2/20 0.35
PLAU P00749 4/20 0.35
PTPN1 P18031 1/20 0.34
KMT2A Q03164 3/20 0.33
MEN1 O00255 1/20 0.33
KCNH2 Q12809 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
PPIA P62937 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
SCHEMBL24241468 0.74 CTSA (0.42) PDK1PDK2PDK3PDK4KMT2A
SCHEMBL14784182 0.72 KMT2A (0.45) PLAUKMT2AMEN1LMNAMAPT
SCHEMBL31518081 0.70 ALDH1A1 (0.46) PDK1PDK2PDK3PDK4PTPN1
SCHEMBL14784385 0.70 ALDH1A1 (0.46) PDK1PDK2PDK3PDK4PTPN1
SCHEMBL31518207 0.67 KMT2A (0.52) PDK1PDK2PDK3PDK4PTPN1
SCHEMBL10932040 0.67 ALDH1A1 (0.47) PDK1PDK2PDK3PDK4PTPN1
SCHEMBL14784216 0.67 KMT2A (0.52) PDK1PDK2PDK3PDK4PTPN1
SCHEMBL28088014 0.67 CES1 (0.42) PLAUMAPT
SCHEMBL14784661 0.67 P2RX7 (0.40) CFTRMAPT
SCHEMBL2372434 0.65 CFTR (0.69) CFTR

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-2755967-B1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF CYSTIC FIBROSIS NOVARTIS AG (CH) 2015-10-21 EP disclosed
US-9034879-B2 Heterocyclic compounds for the treatment of CF NOVARTIS AG (CH) 2015-05-19 US disclosed
US-20140228376-A1 Heterocyclic Compounds for the Treatment of CF NOVARTIS AG (CH) 2014-08-14 US disclosed
EP-2755967-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF CYSTIC FIBROSIS Novartis AG (CH) 2014-07-23 EP disclosed
WO-2013038386-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF CYSTIC FIBROSIS NOVARTIS AG (CH) 2013-03-21 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-20140228376-A1 Heterocyclic Compounds for the Treatment of CF CFTR, OPRD1, OPRK1 PDK1 1062/4885PDK2 2235/4885PDK3 1796/4885

“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.