SCHEMBL14784385

SCHEMBL14784385

CC(OCc1ccccc1)(C(=O)O)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
KMT2A Q03164 4/20 0.44
MEN1 O00255 1/20 0.44
PTPN1 P18031 1/20 0.42
PDK1 Q15118 1/20 0.42
PDK2 Q15119 1/20 0.42
PDK3 Q15120 1/20 0.42
PDK4 Q16654 1/20 0.42
CES1 P23141 1/20 0.42
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL31518081 1.00 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1PTPN1PDK1
SCHEMBL11654721 0.91 ABCC4 (0.42) LMNA
SCHEMBL2000765 0.89 ALDH1A1 (0.48) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
SCHEMBL10932040 0.87 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1PTPN1PDK1
SCHEMBL31518207 0.87 KMT2A (0.52) ALDH1A1KMT2AMEN1PTPN1PDK1
SCHEMBL14784216 0.87 KMT2A (0.52) ALDH1A1KMT2AMEN1PTPN1PDK1
SCHEMBL11655151 0.85 PPARA (0.43) ALDH1A1KMT2AMEN1PDK1PDK2
SCHEMBL11655188 0.84 SLC1A3 (0.45) TDP1MAPT
Ammonia Solution, Strong SCHEMBL27987206 0.83 ALDH1A1 (0.46) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
SCHEMBL11653742 0.82 PPARA (0.49) KMT2AMEN1MAPT

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 11 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
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-9034879-B2 Heterocyclic compounds for the treatment of CF NOVARTIS AG (CH) 2015-05-19 US 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
US-20140228376-A1 Heterocyclic Compounds for the Treatment of CF NOVARTIS AG (CH) 2014-08-14 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
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 ALDH1A1 1691/4885KMT2A 4300/4885MEN1 4733/4885

“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.