SCHEMBL589372

SCHEMBL589372

Cc1cc(OCc2ccccc2)c([C@]2(O)S[C@@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)cc1C=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.36
TACR2 P21452 2/20 0.32
FFAR4 Q5NUL3 1/20 0.32
MCL1 Q07820 1/20 0.32
BCHE P06276 2/20 0.31
ACHE P22303 2/20 0.31
CCNB2 O95067 1/20 0.31
CDK1 P06493 1/20 0.31
CDK4 P11802 1/20 0.31
CCNB1 P14635 1/20 0.31
CCND1 P24385 1/20 0.31
CCNB3 Q8WWL7 1/20 0.31
MAPT P10636 2/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL13425526 1.00 ERN1 (0.36) ERN1TACR2FFAR4MCL1BCHE
SCHEMBL589371 1.00 ERN1 (0.36) ERN1TACR2FFAR4MCL1BCHE
SCHEMBL3217631 0.86 MAOB (0.31) FFAR4ALDH1A1SMN1; SMN2
SCHEMBL3217642 0.86 MAOB (0.31) FFAR4ALDH1A1SMN1; SMN2
SCHEMBL3224921 0.85 SLC5A2 (0.35) TACR2FFAR4
SCHEMBL3224932 0.85 SLC5A2 (0.35) TACR2FFAR4
SCHEMBL3220448 0.84 ABCB1 (0.36)
SCHEMBL3220459 0.84 ABCB1 (0.36)
SCHEMBL590554 0.83 TACR2 (0.31) TACR2BCHEACHESMN1; SMN2
SCHEMBL590553 0.83 TACR2 (0.31) TACR2BCHEACHESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20100069460-A1 1-PHENYL 1-THIO-D-GLUCITOL DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2010-03-18 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 (2 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-20100004465-A1 C-PHENYL 1-THIOGLUCITOL COMPOUND SLC5A1, SLC5A2, SLC2A1 ERN1 2518/4885TACR2 978/4885FFAR4 2727/4885
US-20100069460-A1 1-PHENYL 1-THIO-D-GLUCITOL DERIVATIVE SLC5A1, SLC5A2, SLC2A1 ERN1 2673/4885TACR2 2521/4885FFAR4 1498/4885

“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.