SCHEMBL15748804

SCHEMBL15748804

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

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.57
THRB P10828 3/20 0.46
GLA P06280 1/20 0.43
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KDM4E B2RXH2 2/20 0.40
LMNA P02545 1/20 0.39
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL15748794 0.88 MAPT (0.72) MAPTTHRBGLATDP1L3MBTL1
SCHEMBL15748867 0.84 MAPT (0.52) MAPTTHRBGLAKDM4ETP53
SCHEMBL15748874 0.84 MAPT (0.81) MAPTTHRBTDP1L3MBTL1NPSR1
SCHEMBL15748801 0.83 MAPT (0.62) MAPTTHRBTDP1L3MBTL1NPSR1
SCHEMBL15748823 0.83 MAPT (0.54) MAPTTHRBGLATDP1L3MBTL1
SCHEMBL15748959 0.83 MAPT (0.54) MAPTTHRBGLATDP1L3MBTL1
SCHEMBL15748868 0.82 MAPT (0.53) MAPTTHRBGLATDP1L3MBTL1
SCHEMBL15748777 0.82 MAPT (0.56) MAPTTHRB
SCHEMBL17192453 0.81 MAPT (0.55) MAPTTHRBTDP1L3MBTL1KDM4E
SCHEMBL15748866 0.81 MAPT (0.57) MAPTTHRBGLATDP1L3MBTL1

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 2036/4885GLA 3528/4885

“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.