SCHEMBL9140296

SCHEMBL9140296

COC(=O)c1cc(Cl)c(O)c(O)c1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.49
ABL1 P00519 1/20 0.43
CA12 O43570 3/20 0.43
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
CA7 P43166 3/20 0.43
CA9 Q16790 3/20 0.43
CA14 Q9ULX7 3/20 0.43
PDK2 Q15119 1/20 0.43
PDK4 Q16654 1/20 0.43
LMNA P02545 3/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
NFKB1 P19838 1/20 0.42
XDH P47989 1/20 0.42
GFER P55789 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
FUT7 Q11130 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL5961044 0.85 GAA (0.49) GAAABL1CA12CA1CA2
SCHEMBL13315459 0.85 GAA (0.49) GAAABL1CA12CA1CA2
SCHEMBL18394239 0.83 GAA (0.47) GAAABL1CA12CA1CA2
SCHEMBL29608104 0.83 GAA (0.47) GAAABL1CA12CA1CA2
SCHEMBL9139468 0.81 ABL1 (0.41) GAAABL1CA12CA1CA2
SCHEMBL8331805 0.80 GAA (0.51) GAAABL1CA12CA1CA2
SCHEMBL31147102 0.80 GAA (0.51) GAAABL1LMNAKDM4EHTT
SCHEMBL70011 0.79 GAA (0.58) GAAABL1CA12CA1CA2
SCHEMBL1953848 0.79 GAA (0.58) GAAABL1CA12CA1CA2
SCHEMBL14885189 0.78 AKR1C2 (0.41) CA12CA9KDM4EPOLBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023142754-A1 EZH1/2 INHIBITOR, PREPARATION THEREOF, AND USE THEREOF IN ANTI-TUMOR THERAPY 江苏天士力帝益药业有限公司 2023-08-03 WO disclosed
US-10954219-B2 1,3-benzodioxole derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2021-03-23 US disclosed
US-20180282313-A1 1,3-BENZODIOXOLE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2018-10-04 US disclosed
US-10017500-B2 1,3-benzodioxole derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2018-07-10 US disclosed
US-10017500-B2 1,3-benzodioxole derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2018-07-10 US disclosed
US-10017500-B2 1,3-benzodioxole derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2018-07-10 US disclosed
US-20170073335-A1 1,3-BENZODIOXOLE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-03-16 US disclosed
US-20170073335-A1 1,3-BENZODIOXOLE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-03-16 US disclosed
US-20170073335-A1 1,3-BENZODIOXOLE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-03-16 US disclosed
EP-3121175-A1 1,3-BENZODIOXOLE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-01-25 EP disclosed
US-5438052-A Cephalosporin derivatives HOFFMANN-LA ROCHE INC. (US) 1995-08-01 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-20180282313-A1 1,3-BENZODIOXOLE DERIVATIVE EZH1, EZH2, BMI1 GAA 3922/4885ABL1 169/4885CA12 3827/4885
US-20170073335-A1 1,3-BENZODIOXOLE DERIVATIVE EZH1, EZH2, BMI1 GAA 3922/4885ABL1 169/4885CA12 3827/4885
US-10017500-B2 1,3-benzodioxole derivative EZH1, EZH2, BMI1 GAA 3922/4885ABL1 169/4885CA12 3827/4885
US-10954219-B2 1,3-benzodioxole derivative EZH1, EZH2, BMI1 GAA 3922/4885ABL1 169/4885CA12 3827/4885

“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.