Napabucasin

Napabucasin

SCHEMBL1883845

CC(=O)c1cc2c(o1)C(=O)c1ccccc1C2=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 7/20 1.00
ALDH1A1 P00352 4/20 1.00
MAPT P10636 5/20 0.51
HTT P42858 3/20 0.51
LMNA P02545 3/20 0.51
MITF O75030 1/20 0.51
S100A4 P26447 1/20 0.46
KMT2A Q03164 4/20 0.44
RAB9A P51151 3/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
APAF1 O14727 1/20 0.44
MEN1 O00255 3/20 0.44
NPC1 O15118 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MAOA P21397 1/20 0.44
CDC25B P30305 1/20 0.43
BCL2 P10415 1/20 0.42
MCL1 Q07820 1/20 0.42
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41

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
Napabucasin SCHEMBL29349770 1.00 STAT3 (1.00) STAT3ALDH1A1MAPTHTTLMNA
SCHEMBL19597404 0.89 STAT3 (0.79) STAT3ALDH1A1MAPTHTTLMNA
Napabucasin SCHEMBL3654300 0.88 STAT3 (0.78) STAT3ALDH1A1MAPTHTTLMNA
SCHEMBL16917433 0.86 STAT3 (0.76) STAT3ALDH1A1MAPTHTTLMNA
SCHEMBL12640087 0.86 STAT3 (0.75) STAT3ALDH1A1MAPTHTTLMNA
SCHEMBL12494612 0.85 STAT3 (0.73) STAT3ALDH1A1MAPTHTTLMNA
SCHEMBL12640086 0.84 STAT3 (0.73) STAT3ALDH1A1MAPTHTTLMNA
SCHEMBL18691843 0.84 STAT3 (0.73) STAT3ALDH1A1MAPTHTTLMNA
SCHEMBL29364489 0.83 STAT3 (0.71) STAT3ALDH1A1MAPTHTTLMNA
SCHEMBL29362059 0.83 STAT3 (0.71) STAT3ALDH1A1MAPTHTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11414394-B2 Process for producing a hydrate of a hydrochloride salt of 2,2′-((((((2-acetylnaphtho[2,3-b]furan-4,9-diyl)bis(oxy))bis(carbonyl))bis(azanediyl))bis(ethane-2,1-diyl))bis(azanediyl))diacetic acid SUMITOMO PHARMA ONCOLOGY, INC. (US) 2022-08-16 US claimed
US-20210115006-A1 NOVEL COMPOSITIONS AND METHODS FOR CANCER TREATMENT SUMITOMO DAINIPPON PHARMA ONCOLOGY, INC. (US) 2021-04-22 US claimed
US-20210070724-A1 METHOD FOR PRODUCING 2-ACETYL-4H,9H-NAPHTHO[2,3-B]FURAN-4,9-DIONE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2021-03-11 US claimed
CN-105963289-B STAT3 pathway inhibitor and cancer stem cell pathway inhibitor 北京强新生物科技有限公司 2021-02-26 CN claimed
EP-3067054-B1 NOVEL COMPOSITIONS AND METHODS FOR CANCER TREATMENT BOSTON BIOMEDICAL INC (US) 2020-12-30 EP claimed
US-10875835-B2 Method for producing 2-acetyl-4H,9H-naphtho[2,3-b]furan-4,9-dione SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2020-12-29 US claimed
US-20200392098-A1 SUBSTITUTED NAPHTHO[2,3-b]FURANS AS WATER-SOLUBLE PRODRUGS FOR PREVENTING AND/OR TREATING CANCER BOSTON BIOMEDICAL, INC. (US) 2020-12-17 US claimed
US-20200237711-A1 Compositions for Treating and/or Preventing Cancer SUMITOMO DAINIPPON PHARMA ONCOLOGY, INC. 2020-07-30 US claimed
US-20200190049-A1 METHOD FOR PRODUCING 2-ACETYL-4H,9H-NAPHTHO[2,3-B]FURAN-4,9-DIONE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2020-06-18 US claimed
US-10611746-B2 Method for producing 2-acetyl-4H,9H-naphtho[2,3-B]furan-4,9-dione SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2020-04-07 US claimed
WO-2012119265-A1 NOVEL ESTERS OF 4,9-DIHYDROXY-NAPHTHO[2,3-b]FURANS FOR DISEASE THERAPIES ZHOUSHAN HAIZHONGZHOU XINSHENG PHARMACEUTICALS CO., LTD. (CN) 2012-09-13 WO claimed
US-20110112180-A1 NOVEL STAT3 PATHWAY INHIBITORS AND CANCER STEM CELL INHIBITORS BOSTON BIOMEDICAL, INC. (US) 2011-05-12 US claimed
US-20100310503-A1 NOVEL COMPOSITIONS AND METHODS FOR CANCER TREATMENT SUMITOMO DAINIPPON PHARMA ONCOLOGY, INC. 2010-12-09 US claimed
EP-2200431-A1 NOVEL COMPOSITIONS AND METHODS FOR CANCER TREATMENT Boston Biomedical, Inc. (US) 2010-06-30 EP claimed
EP-2194987-A2 NOVEL STAT3 PATHWAY INHIBITORS AND CANCER STEM CELL INHIBITORS Boston Biomedical, Inc. (US) 2010-06-16 EP claimed
EP-2190429-A1 A NOVEL GROUP OF STAT3 PATHWAY INHIBITORS AND CANCER STEM CELL PATHWAY INHIBITORS Boston Biomedical, Inc. (US) 2010-06-02 EP claimed
WO-2009036099-A1 A NOVEL GROUP OF STAT3 PATHWAY INHIBITORS AND CANCER STEM CELL PATHWAY INHIBITORS BOSTON BIOMEDICAL, INC. (US) 2009-03-19 WO claimed
WO-2009036101-A1 NOVEL COMPOSITIONS AND METHODS FOR CANCER TREATMENT BOSTON BIOMEDICAL, INC. (US) 2009-03-19 WO claimed
WO-2009036059-A2 NOVEL STAT3 PATHWAY INHIBITORS AND CANCER STEM CELL INHIBITORS BOSTON BIOMEDICAL, INC. (US) 2009-03-19 WO claimed
EP-1134216-B1 ANTI-DRUG RESISTANT STRAIN AGENTS AND ANTICHLAMYDIA AGENTS JAPAN SCIENCE & TECH CORP (JP) 2004-05-06 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 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-11414394-B2 Process for producing a hydrate of a hydrochloride salt of 2,2′-((((((2-acetylnaphtho[2,3-b]furan-4,9-diyl)bis(oxy))bis(carbonyl))bis(azanediyl))bis(ethane-2,1-diyl))bis(azanediyl))diacetic acid ADH1A, ADH1C, DACH1 STAT3 1555/4885ALDH1A1 180/4885MAPT 1047/4885
US-20200392098-A1 SUBSTITUTED NAPHTHO[2,3-b]FURANS AS WATER-SOLUBLE PRODRUGS FOR PREVENTING AND/OR TREATING CANCER NR0B1, NR0B2, NR2C2 STAT3 2147/4885ALDH1A1 716/4885MAPT 4840/4885
US-10875835-B2 Method for producing 2-acetyl-4H,9H-naphtho[2,3-b]furan-4,9-dione ADH1A, ADH1C, NQO1 STAT3 3989/4885ALDH1A1 52/4885MAPT 2680/4885
US-20110112180-A1 NOVEL STAT3 PATHWAY INHIBITORS AND CANCER STEM CELL INHIBITORS STAT3, STAT1, STAT5B STAT3 1/4885ALDH1A1 630/4885MAPT 4328/4885
US-10611746-B2 Method for producing 2-acetyl-4H,9H-naphtho[2,3-B]furan-4,9-dione ADH1A, ADH1C, NQO1 STAT3 3989/4885ALDH1A1 52/4885MAPT 2680/4885
US-20200190049-A1 METHOD FOR PRODUCING 2-ACETYL-4H,9H-NAPHTHO[2,3-B]FURAN-4,9-DIONE ADH1A, ADH1C, NQO1 STAT3 3989/4885ALDH1A1 52/4885MAPT 2680/4885
US-20210070724-A1 METHOD FOR PRODUCING 2-ACETYL-4H,9H-NAPHTHO[2,3-B]FURAN-4,9-DIONE ADH1A, ADH1C, NQO1 STAT3 3989/4885ALDH1A1 52/4885MAPT 2680/4885
US-20200237711-A1 Compositions for Treating and/or Preventing Cancer SLC33A1, SLCO2B1, SLCO1B1 STAT3 2236/4885ALDH1A1 143/4885MAPT 2798/4885

“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.