SCHEMBL2372324

SCHEMBL2372324

Cc1cc(Cl)ccc1-c1nc(C(=O)O[C@H](C(N)=O)C(F)(F)F)c(N)cc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CFTR P13569 12/20 0.47
GRM2 Q14416 1/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
KCNH2 Q12809 1/20 0.33
SCN9A Q15858 1/20 0.33
GPBAR1 Q8TDU6 1/20 0.32
MGLL Q99685 1/20 0.32
ALDH1A1 P00352 1/20 0.32
AKR1B10 O60218 1/20 0.31
AKR1C4 P17516 1/20 0.31
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 1/20 0.31
AKR1C1 Q04828 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL2372275 0.85 CFTR (0.57) CFTRALDH1A1
SCHEMBL29699295 0.85 CFTR (0.57) CFTRALDH1A1
SCHEMBL11928232 0.81 CFTR (0.54) CFTRGRM2SCN9AGPBAR1MGLL
SCHEMBL29699235 0.76 CFTR (0.59) CFTR
SCHEMBL2372320 0.76 CFTR (0.59) CFTR
SCHEMBL2371919 0.75 CFTR (0.66) CFTRCNR1
SCHEMBL29699256 0.75 CFTR (0.66) CFTRCNR1
SCHEMBL2372850 0.75 CFTR (0.56) CFTR
SCHEMBL2372338 0.74 CFTR (0.54) CFTR
SCHEMBL2371821 0.74 CFTR (0.54) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011113894-A1 PYRIDINE AND PYRAZINE DERIVATIVE FOR THE TREATMENT OF CF NOVARTIS AG (CH) 2011-09-22 WO disclosed
US-20110230483-A1 Pyridine and Pyrazine derivative for the Treatment of CF NOVARTIS AG 2011-09-22 US 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-20110230483-A1 Pyridine and Pyrazine derivative for the Treatment of CF CFTR, OPRK1, OPRD1 CFTR 1/4885GRM2 3994/4885CNR1 525/4885

“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.