SCHEMBL15939844

SCHEMBL15939844

C[C@](O)(c1nnc(-c2ncc(C(F)(F)F)cc2N)o1)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CFTR P13569 2/20 0.40
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
POLB P06746 1/20 0.37
ATR Q13535 1/20 0.33
CNR2 P34972 1/20 0.33
NPSR1 Q6W5P4 2/20 0.32
GCK P35557 3/20 0.32
GCKR Q14397 3/20 0.32
MERTK Q12866 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
PKM P14618 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL15939851 1.00 CFTR (0.40) CFTRALDH1A1KDM4ESMN1; SMN2POLB
SCHEMBL14784635 1.00 CFTR (0.40) CFTRALDH1A1KDM4ESMN1; SMN2POLB
SCHEMBL14783681 0.78 KDM4E (0.33) CFTRALDH1A1KDM4ESMN1; SMN2POLB
SCHEMBL14783873 0.77 CFTR (0.41) CFTRALDH1A1
SCHEMBL14783806 0.76 CFTR (0.42) CFTRHDAC6
SCHEMBL14783401 0.74 CFTR (0.44) CFTR
SCHEMBL14783509 0.74 CFTR (0.44) CFTR
SCHEMBL14794943 0.74 CFTR (0.44) CFTR
SCHEMBL19666926 0.73 CFTR (0.69) CFTRGCKGCKR
SCHEMBL14783582 0.72 CFTR (0.40) CFTRALDH1A1KDM4ESMN1; SMN2POLB

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 8 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 claimed
US-9034879-B2 Heterocyclic compounds for the treatment of CF NOVARTIS AG (CH) 2015-05-19 US claimed
US-20140228376-A1 Heterocyclic Compounds for the Treatment of CF NOVARTIS AG (CH) 2014-08-14 US claimed
CN-103946221-A Heterocyclic compounds for the treatment of cystic fibrosis NOVARTIS AG 2014-07-23 CN claimed
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
CN-103946221-A Heterocyclic compounds for the treatment of cystic fibrosis NOVARTIS AG 2014-07-23 CN 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 CFTR 1/4885ALDH1A1 1691/4885KDM4E 2234/4885

“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.