SCHEMBL5377826

SCHEMBL5377826

CCc1ccc(C(O)c2cnc(C)cc2C)c(OCc2ccccc2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.39
RXRA P19793 2/20 0.38
MAPT P10636 2/20 0.38
AOC3 Q16853 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37
STAT3 P40763 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALOX5 P09917 1/20 0.37
BRD4 O60885 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL154397 0.78 GAA (0.46) L3MBTL1SMN1; SMN2POLB
SCHEMBL26415934 0.74 L3MBTL1 (0.53) FFAR4RXRAMAPTAOC3MAPK1
SCHEMBL4285318 0.73 RXRA (0.38) FFAR4RXRAMAPTTDP1L3MBTL1
SCHEMBL19667125 0.73 MAPK1 (0.46) FFAR4MAPTAOC3MAPK1TDP1
SCHEMBL19667235 0.71 AOC3 (0.43) MAPTAOC3MAPK1TDP1L3MBTL1
SCHEMBL13753876 0.70 MEN1 (0.56) MAPTMAPK1TDP1L3MBTL1SMN1; SMN2
SCHEMBL3223738 0.70 SMN1; SMN2 (0.39) FFAR4RXRAMAPTMAPK1TDP1
SCHEMBL12251449 0.70 MEN1 (0.63) MAPTMAPK1TDP1L3MBTL1HTT
SCHEMBL3197041 0.70 APP (0.50) MAPTMAPK1TDP1L3MBTL1
SCHEMBL1539311 0.70 LIPE (0.45) RXRAMAPTMAPK1TDP1L3MBTL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7271153-B2 Treating diseases associated with hyperglycemia such as diabetes; SGLT2 (sodium/glucose cotransporter 2) inhibitor; 3-(4-Ethylbenzyl)-2-(beta-D-glucopyranosyloxy)-4,6-dimethyl-pyridine for example KISSEI PHARMACEUTICAL CO., LTD. (JP) 2007-09-18 US disclosed
US-20050049203-A1 Nitrogenous heterocyclic derivative, medicinal composition containing the same, medical use thereof, and intermediate therefor KISSEI PHARMACEUTICAL CO., LTD. (JP) 2005-03-03 US disclosed
EP-1405859-A1 NITROGENOUS HETEROCYCLIC DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, MEDICINAL USE THEREOF AND INTERMEDIATE THEREFOR Kissei Pharmaceutical Co., Ltd. (JP) 2004-04-07 EP 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-20050049203-A1 Nitrogenous heterocyclic derivative, medicinal composition containing the same, medical use thereof, and intermediate therefor GPR119, NPR3, SLC5A2 FFAR4 114/4885RXRA 486/4885MAPT 4746/4885

“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.