Sugi Predict

Sugi Predict / Compounds / SCHEMBL4466616

SCHEMBL4466616

SCHEMBL4466616

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C2 P52895 7/20 0.57
▸ AKR1C1 Q04828 7/20 0.57
▸ AKR1C4 P17516 1/20 0.57
▸ AKR1C3 P42330 1/20 0.57
▸ TTR P02766 2/20 0.52
▸ ALDH1A1 P00352 4/20 0.50
▸ HPGD P15428 3/20 0.50
▸ HSD17B10 Q99714 3/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ PKM P14618 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ CYP3A4 P08684 1/20 0.45
▸ TSHR P16473 4/20 0.43
▸ TP53 P04637 1/20 0.43
▸ CASP1 P29466 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ CA1 P00915 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
SCHEMBL14273026 0.86 AKR1C2 (0.57) AKR1C2AKR1C1AKR1C4AKR1C3TTR
SCHEMBL843194 0.84 AKR1C2 (0.54) AKR1C2AKR1C1AKR1C4AKR1C3TTR
SCHEMBL1513825 0.82 AKR1C2 (0.63) AKR1C2AKR1C1AKR1C4AKR1C3TTR
SCHEMBL321818 0.82 CA1 (0.47) AKR1C2AKR1C1AKR1C4AKR1C3TTR
SCHEMBL14885189 0.80 AKR1C2 (0.41) AKR1C2AKR1C1AKR1C4AKR1C3TTR
SCHEMBL23823369 0.78 AKR1C2 (0.53) AKR1C2AKR1C1AKR1C4AKR1C3TTR
SCHEMBL28811573 0.78 AKR1C2 (0.53) AKR1C2AKR1C1AKR1C4AKR1C3TTR
SCHEMBL8587923 0.78 AKR1C2 (0.48) AKR1C2AKR1C1AKR1C4AKR1C3TTR
SCHEMBL30632048 0.77 AKR1C2 (0.57) AKR1C2AKR1C1AKR1C4AKR1C3TTR
SCHEMBL2891876 0.77 AKR1C2 (0.57) AKR1C2AKR1C1AKR1C4AKR1C3TTR

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4074709-A1 MONOCYCLIC BETA-LACTAM COMPOUND AND USE THEREOF Evopoint Biosciences Co., Ltd. (CN) 2022-10-19 — — EP disclosed
WO-2021115444-A1 MONOCYCLIC β-LACTAM COMPOUND AND USE THEREOF 苏州信诺维医药科技股份有限公司 2021-06-17 — — WO disclosed
US-10954219-B2 1,3-benzodioxole derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2021-03-23 — — US 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-20040142922-A1 Benzodioxole derivatives HOFFMANN-LA ROCHE INC. 2004-07-22 — — US disclosed
WO-2004013120-A1 NOVEL BENZODIOXOLES F. HOFFMANN-LA ROCHE AG (CH) 2004-02-12 — — WO disclosed
EP-0584085-B1 ANTIBIOTIC CARBAPENEM DERIVATIVES ZENECA LTD (GB) 1998-09-09 — — EP disclosed
US-5554606-A THIENAMYCIN DERIVATIVES; PSEUDOMONAS ZENECA LIMITED (GB) 1996-09-10 — — US disclosed
EP-0416410-B1 Piperaziniocephalosporins SHIONOGI & CO (JP) 1994-11-30 — — EP disclosed
EP-0584085-A1 ANTIBIOTIC CARBAPENEM DERIVATIVES ZENECA LIMITED (GB) 1994-03-02 — — EP disclosed
WO-1992017479-A1 ANTIBIOTIC CARBAPENEM DERIVATIVES ZENECA LTD. (GB) 1992-10-15 — — WO disclosed
US-5143910-A PIPERAZINIOCEPHALOSPORINS SHIONOGI & CO., LTD. (JP) 1992-09-01 — — US disclosed
EP-0416410-A1 Piperaziniocephalosporins SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) 1991-03-13 — — EP disclosed
EP-0400805-A1 Cephalosporin compounds and their use Ishimaru, Toshiyasu (JP) 1990-12-05 — — 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 (5 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 AKR1C2 1256/4885AKR1C1 1178/4885AKR1C4 1623/4885
US-20170073335-A1 1,3-BENZODIOXOLE DERIVATIVE EZH1, EZH2, BMI1 AKR1C2 1256/4885AKR1C1 1178/4885AKR1C4 1623/4885
US-10017500-B2 1,3-benzodioxole derivative EZH1, EZH2, BMI1 AKR1C2 1256/4885AKR1C1 1178/4885AKR1C4 1623/4885
US-10954219-B2 1,3-benzodioxole derivative EZH1, EZH2, BMI1 AKR1C2 1256/4885AKR1C1 1178/4885AKR1C4 1623/4885
US-20040142922-A1 Benzodioxole derivatives CNR1, CNR2, GPR119 AKR1C2 479/4885AKR1C1 440/4885AKR1C4 549/4885

“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.