SCHEMBL20741981

SCHEMBL20741981

COC(OC)c1cc(Br)c(OCc2ccccc2)cc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
CCR5 P51681 1/20 0.40
PTPN1 P18031 2/20 0.40
ALDH1A1 P00352 1/20 0.40
STAT3 P40763 1/20 0.40
HTT P42858 1/20 0.40
FFAR4 Q5NUL3 1/20 0.39
SGMS2 Q8NHU3 2/20 0.38
ABCB1 P08183 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAOB P27338 2/20 0.38
LIPE Q05469 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
SCHEMBL17659021 0.81 MAPT (0.53) TDP1MAPTMAPK1L3MBTL1RAB9A
Toluene SCHEMBL27793177 0.78 L3MBTL1 (0.50) TDP1MAPTMAPK1L3MBTL1RAB9A
SCHEMBL7383152 0.78 MEN1 (0.50) TDP1MAPTL3MBTL1RAB9ASMN1; SMN2
SCHEMBL3223738 0.76 SMN1; SMN2 (0.39) TDP1MAPTMAPK1L3MBTL1RAB9A
SCHEMBL20982537 0.76 HTR2A (0.52) TDP1MAPTMAPK1L3MBTL1RAB9A
SCHEMBL7632432 0.75 TDP1 (0.47) TDP1MAPTMAPK1L3MBTL1RAB9A
SCHEMBL21557913 0.75 LMNA (0.44) MAPTL3MBTL1RAB9ASMN1; SMN2HTT
SCHEMBL3223036 0.74 RAB9A (0.38) TDP1MAPTMAPK1L3MBTL1RAB9A
SCHEMBL28441702 0.74 RAB9A (0.47) TDP1MAPTMAPK1L3MBTL1RAB9A
SCHEMBL7385585 0.74 MAOB (0.50) MAPTL3MBTL1RAB9ASMN1; SMN2MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11014917-B2 5-fluoro-c-(aryl or heterocyclyl)-glycoside derivatives useful as dual SGLT1 / SGLT2 modulators JANSSEN PHARMACEUTICA NV (BE) 2021-05-25 US disclosed
US-20200291004-A1 5-FLUORO-C-(ARYL OR HETEROCYCLYL)-GLYCOSIDE DERIVATIVES USEFUL AS DUAL SGLT1 / SGLT2 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-09-17 US disclosed
US-10696662-B2 5-fluoro-C-(aryl or heterocyclyl)-glycoside derivatives useful as dual SGLT1 / SGLT2 modulators JANSSEN PHARMACEUTICA NV (BE) 2020-06-30 US disclosed
US-20190055226-A1 5-FLUORO-C-(ARYL OR HETEROCYCLYL)-GLYCOSIDE DERIVATIVES USEFUL AS DUAL SGLT1 / SGLT2 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2019-02-21 US 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 (4 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-20190055226-A1 5-FLUORO-C-(ARYL OR HETEROCYCLYL)-GLYCOSIDE DERIVATIVES USEFUL AS DUAL SGLT1 / SGLT2 MODULATORS SLC5A2, SLC5A1, SLC2A2 TDP1 4506/4885MAPT 1022/4885MAPK1 1801/4885
US-10696662-B2 5-fluoro-C-(aryl or heterocyclyl)-glycoside derivatives useful as dual SGLT1 / SGLT2 modulators SLC5A2, SLC5A1, SLC2A2 TDP1 4506/4885MAPT 1022/4885MAPK1 1801/4885
US-20200291004-A1 5-FLUORO-C-(ARYL OR HETEROCYCLYL)-GLYCOSIDE DERIVATIVES USEFUL AS DUAL SGLT1 / SGLT2 MODULATORS SLC5A2, SLC5A1, SLC2A2 TDP1 4474/4885MAPT 840/4885MAPK1 1461/4885
US-11014917-B2 5-fluoro-c-(aryl or heterocyclyl)-glycoside derivatives useful as dual SGLT1 / SGLT2 modulators SLC5A2, SLC5A1, SLC2A2 TDP1 4474/4885MAPT 840/4885MAPK1 1461/4885

“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.