SCHEMBL589425

SCHEMBL589425

CC(=O)c1cc(Br)c(OCc2ccccc2)cc1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
MAPT P10636 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
MAOB P27338 2/20 0.51
RXRA P19793 1/20 0.49
RXRB P28702 1/20 0.49
RXRG P48443 1/20 0.49
FFAR4 Q5NUL3 1/20 0.48
ABCB1 P08183 1/20 0.47
LRRK2 Q5S007 1/20 0.47
FOLH1 Q04609 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
MCL1 Q07820 1/20 0.46
SMPD1 P17405 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46

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
SCHEMBL591616 0.90 FOLH1 (0.55) TDP1L3MBTL1MAPTCYP2C9CYP2C19
SCHEMBL12939114 0.89 TDP1 (0.56) TDP1L3MBTL1MAPTCYP2C9CYP2C19
SCHEMBL2946703 0.89 MAOB (0.57) TDP1L3MBTL1MAPTCYP2C9CYP2C19
SCHEMBL590872 0.88 MCL1 (0.48) TDP1L3MBTL1MAPTCYP2C9CYP2C19
SCHEMBL12659544 0.86 ALDH1A1 (0.49) TDP1L3MBTL1RXRARXRBRXRG
SCHEMBL28437033 0.86 SMPD1 (0.50) TDP1L3MBTL1MAPTSMN1; SMN2RXRA
SCHEMBL1977476 0.86 MAOB (0.62) TDP1L3MBTL1MAPTCYP2C9CYP2C19
SCHEMBL3986407 0.85 ABCB1 (0.60) TDP1L3MBTL1MAPTCYP2C9CYP2C19
SCHEMBL29660879 0.83 TDP1 (0.56) TDP1L3MBTL1MAPTCYP2C9CYP2C19
SCHEMBL166437 0.83 TDP1 (0.56) TDP1L3MBTL1MAPTCYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2076503-B1 C-PHENYL GLYCITOL COMPOUND FOR THE TREATMENT OF DIABETES TAISHO PHARMACEUTICAL CO LTD (JP) 2013-07-17 EP disclosed
EP-2036901-B1 C-PHENYL 1-THIOGLUCITOL COMPOUND TAISHO PHARMACEUTICAL CO LTD (JP) 2013-05-01 EP disclosed
US-8115017-B2 C-phenyl 1-thioglucitol compound TAISHO PHARMACEUTICAL CO., LTD (JP) 2012-02-14 US disclosed
US-7973012-B2 C-phenyl glycitol compound TAISHO PHARMACEUTICAL CO., LTD (JP) 2011-07-05 US disclosed
US-20100069460-A1 1-PHENYL 1-THIO-D-GLUCITOL DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2010-03-18 US disclosed
US-20100022460-A1 C-PHENYL GLYCITOL COMPOUND TAISHO PHARMACEUTICAL CO., LTD. (JP) 2010-01-28 US disclosed
US-20100004465-A1 C-PHENYL 1-THIOGLUCITOL COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2010-01-07 US disclosed
EP-2103607-A1 1-PHENYL 1-THIO-D-GLUCITOL DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD (JP) 2009-09-23 EP disclosed
EP-2036901-A1 C-PHENYL 1-THIOGLUCITOL COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2009-03-18 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 (3 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-20100022460-A1 C-PHENYL GLYCITOL COMPOUND SLC5A1, SLC5A2, SLC2A1 TDP1 4824/4885L3MBTL1 1761/4885MAPT 1940/4885
US-20100004465-A1 C-PHENYL 1-THIOGLUCITOL COMPOUND SLC5A1, SLC5A2, SLC2A1 TDP1 3815/4885L3MBTL1 3293/4885MAPT 1989/4885
US-20100069460-A1 1-PHENYL 1-THIO-D-GLUCITOL DERIVATIVE SLC5A1, SLC5A2, SLC2A1 TDP1 1126/4885L3MBTL1 1636/4885MAPT 583/4885

“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.