SCHEMBL15748843

SCHEMBL15748843

CCOC(=O)c1nnc2c(-c3ccc(Cl)c(Cl)c3)c(C)nn2c1C(=O)OCC

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.64
THRB P10828 1/20 0.55
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
MAP3K14 Q99558 5/20 0.46
HTT P42858 1/20 0.44
GAA P10253 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GPR55 Q9Y2T6 1/20 0.43
TEAD2 Q15562 1/20 0.42
GABRA2 P47869 1/20 0.42
GABRB2 P47870 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL15748845 0.92 MAPT (0.55) MAPTTHRBKDM4EALDH1A1HPGD
SCHEMBL15748795 0.90 MAPT (0.78) MAPTTHRBKDM4EALDH1A1HPGD
SCHEMBL15748958 0.88 MAPT (0.72) MAPTTHRBKDM4EALDH1A1HPGD
SCHEMBL15748809 0.88 MAPT (0.81) MAPTTHRBKDM4EALDH1A1HPGD
SCHEMBL17192440 0.80 MAPT (0.59) MAPTTHRBKDM4EALDH1A1HPGD
SCHEMBL15748928 0.78 MAPT (0.68) MAPTTHRBKDM4EALDH1A1HPGD
SCHEMBL13977289 0.78 MAPT (1.00) MAPTTHRBKDM4EALDH1A1HPGD
SCHEMBL15748777 0.78 MAPT (0.56) MAPTTHRBMAP3K14
SCHEMBL15748846 0.77 MAPT (0.58) MAPTTHRBKDM4EMAP3K14TDP1
SCHEMBL15748813 0.77 MAPT (0.58) MAPTTHRBKDM4EMAP3K14TDP1

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
US-9676779-B2 Small molecule CFTR correctors DISCOVERYBIOMED, INC. (US) 2017-06-13 US disclosed
US-9676779-B2 Small molecule CFTR correctors DISCOVERYBIOMED, INC. (US) 2017-06-13 US disclosed
US-20150299206-A1 SMALL MOLECULE CFTR CORRECTORS DISCOVERYBIOMED, INC. (US) 2015-10-22 US disclosed
US-20150299206-A1 SMALL MOLECULE CFTR CORRECTORS DISCOVERYBIOMED, INC. (US) 2015-10-22 US disclosed
WO-2014081820-A1 SMALL MOLECULE CFTR CORRECTORS DISCOVERYBIOMED, INC. (US) 2014-05-30 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-20150299206-A1 SMALL MOLECULE CFTR CORRECTORS CFTR, CLCN2, SLC26A4 MAPT 4258/4885THRB 2036/4885KDM4E 4245/4885

“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.