SCHEMBL15748802

SCHEMBL15748802

CCCOc1ccc(-c2c(C)nn3c(C)c(C(=O)O)nnc23)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.57
THRB P10828 3/20 0.52
CACNA2D1 P54289 1/20 0.45
L3MBTL1 Q9Y468 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
PKM P14618 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
PTGS2 P35354 1/20 0.42
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL15748950 0.96 MAPT (0.57) MAPTTHRBL3MBTL1NPSR1TDP1
SCHEMBL15748945 0.89 MAPT (0.73) MAPTTHRBCACNA2D1L3MBTL1NPSR1
SCHEMBL15748794 0.80 MAPT (0.72) MAPTTHRBL3MBTL1NPSR1TDP1
SCHEMBL15502378 0.72 MAPT (0.78) MAPTTHRBL3MBTL1NPSR1TDP1
SCHEMBL15748850 0.72 MAPT (0.69) MAPTTHRBL3MBTL1NPSR1TDP1
SCHEMBL17192443 0.71 MAPT (0.49) MAPTTHRBL3MBTL1NPSR1TDP1
SCHEMBL23657561 0.69 MAPT (0.57) MAPTTHRBL3MBTL1NPSR1TDP1
SCHEMBL15748942 0.68 MAPT (0.71) MAPTTHRBL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL15748795 0.68 MAPT (0.78) MAPTTHRBL3MBTL1TDP1KDM4E
SCHEMBL4060096 0.65 RARB (0.79) L3MBTL1PKMTP53TSHRMAPK1

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 2036/4885CACNA2D1 2311/4885

“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.