SCHEMBL15748822

SCHEMBL15748822

Cc1nn2c(C)c(C(=O)O)nnc2c1-c1ccc(OC2CCCC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.53
THRB P10828 3/20 0.45
TYK2 P29597 1/20 0.38
JAK3 P52333 1/20 0.38
EGFR P00533 1/20 0.37
EPHX2 P34913 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GLA P06280 1/20 0.36
APP P05067 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL17192445 0.90 MAPT (0.48) MAPTTHRBTYK2JAK3EGFR
SCHEMBL15748850 0.89 MAPT (0.69) MAPTTHRBTDP1L3MBTL1NPSR1
SCHEMBL15748959 0.80 MAPT (0.54) MAPTTHRBTDP1L3MBTL1NPSR1
SCHEMBL15748804 0.79 MAPT (0.57) MAPTTHRBTDP1L3MBTL1NPSR1
SCHEMBL15748950 0.78 MAPT (0.57) MAPTTHRBTDP1L3MBTL1NPSR1
SCHEMBL15748794 0.78 MAPT (0.72) MAPTTHRBTDP1L3MBTL1NPSR1
SCHEMBL15748867 0.75 MAPT (0.52) MAPTTHRBGLAKDM4E
SCHEMBL15748869 0.73 MAPT (0.54) MAPTTHRBSMN1; SMN2KDM4E
SCHEMBL13977658 0.73 MAPT (0.80) MAPTTHRBTDP1L3MBTL1NPSR1
SCHEMBL17192453 0.72 MAPT (0.55) MAPTTHRBTDP1L3MBTL1KDM4E

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 2036/4885TYK2 4885/4885

“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.