SCHEMBL12960697

SCHEMBL12960697

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 10/20 0.56
▸ ALDH1A1 P00352 3/20 0.56
▸ BCL2 P10415 3/20 0.34
▸ MCL1 Q07820 3/20 0.34
▸ MAPT P10636 4/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ HTT P42858 2/20 0.34
▸ APAF1 O14727 2/20 0.34
▸ MITF O75030 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CDC25B P30305 1/20 0.33
▸ USP1 O94782 1/20 0.33
▸ USP19 O94966 1/20 0.33
▸ WDR48 Q8TAF3 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ PGAM1 P18669 1/20 0.33

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
SCHEMBL19820871 0.89 STAT3 (0.57) STAT3ALDH1A1BCL2MCL1MAPT
SCHEMBL12960696 0.85 ALDH1A1 (0.56) STAT3ALDH1A1MAPTKMT2AHTT
SCHEMBL19824423 0.80 STAT3 (0.49) STAT3ALDH1A1MAPTKMT2AHTT
SCHEMBL17690053 0.78 STAT3 (0.56) STAT3ALDH1A1BCL2MCL1MAPT
SCHEMBL16917433 0.76 STAT3 (0.76) STAT3ALDH1A1BCL2MCL1MAPT
Napabucasin SCHEMBL29349770 0.72 STAT3 (1.00) STAT3ALDH1A1BCL2MCL1MAPT
SCHEMBL12640087 0.72 STAT3 (0.75) STAT3ALDH1A1BCL2MCL1MAPT
Napabucasin SCHEMBL1883845 0.72 STAT3 (1.00) STAT3ALDH1A1BCL2MCL1MAPT
SCHEMBL38650880 0.72 STAT3 (0.69) STAT3ALDH1A1BCL2MCL1MAPT
SCHEMBL12640086 0.71 STAT3 (0.73) STAT3ALDH1A1BCL2MCL1MAPT

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
EP-3050566-B1 A NOVEL GROUP OF STAT3 PATHWAY INHIBITORS AND CANCER STEM CELL PATHWAY INHIBITORS BOSTON BIOMEDICAL INC (US) 2018-11-28 — — EP claimed
US-20210024482-A1 Novel Group of STAT3 Pathway Inhibitors and Cancer Stem Cell Pathway Inhibitors SUMITOMO DAINIPPON PHARMA ONCOLOGY, INC. (US) 2021-01-28 — — US disclosed
US-20200039948-A1 NOVEL GROUP OF STAT3 PATHWAY INHIBITORS AND CANCER STEM CELL PATHWAY INHIBITORS BOSTON BIOMEDICAL, INC. 2020-02-06 — — US disclosed
EP-3050566-B1 A NOVEL GROUP OF STAT3 PATHWAY INHIBITORS AND CANCER STEM CELL PATHWAY INHIBITORS BOSTON BIOMEDICAL INC (US) 2018-11-28 — — EP disclosed
US-20180030022-A1 NOVEL GROUP OF STAT3 PATHWAY INHIBITORS AND CANCER STEM CELL PATHWAY INHIBITORS BOSTON BIOMEDICAL, INC. (US) 2018-02-01 — — US disclosed
US-20180030022-A1 NOVEL GROUP OF STAT3 PATHWAY INHIBITORS AND CANCER STEM CELL PATHWAY INHIBITORS BOSTON BIOMEDICAL, INC. (US) 2018-02-01 — — US disclosed
US-9745278-B2 Group of STAT3 pathway inhibitors and cancer stem cell pathway inhibitors BOSTON BIOMEDICAL, INC. (US) 2017-08-29 — — US disclosed
US-9745278-B2 Group of STAT3 pathway inhibitors and cancer stem cell pathway inhibitors BOSTON BIOMEDICAL, INC. (US) 2017-08-29 — — US disclosed
US-20120252763-A1 NOVEL GROUP OF STAT3 PATHWAY INHIBITORS AND CANCER STEM CELL PATHWAY INHIBITORS BOSTON BIOMEDICAL, INC. (US) 2012-10-04 — — US disclosed
US-20120252763-A1 NOVEL GROUP OF STAT3 PATHWAY INHIBITORS AND CANCER STEM CELL PATHWAY INHIBITORS BOSTON BIOMEDICAL, INC. (US) 2012-10-04 — — US disclosed
WO-2009036099-A1 A NOVEL GROUP OF STAT3 PATHWAY INHIBITORS AND CANCER STEM CELL PATHWAY INHIBITORS BOSTON BIOMEDICAL, INC. (US) 2009-03-19 — — WO 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-20120252763-A1 NOVEL GROUP OF STAT3 PATHWAY INHIBITORS AND CANCER STEM CELL PATHWAY INHIBITORS STAT3, JAK2, STAT5B STAT3 1/4885ALDH1A1 810/4885BCL2 529/4885
US-20180030022-A1 NOVEL GROUP OF STAT3 PATHWAY INHIBITORS AND CANCER STEM CELL PATHWAY INHIBITORS STAT3, JAK2, STAT5B STAT3 1/4885ALDH1A1 765/4885BCL2 470/4885
US-20210024482-A1 Novel Group of STAT3 Pathway Inhibitors and Cancer Stem Cell Pathway Inhibitors STAT3, STAT5B, JAK2 STAT3 1/4885ALDH1A1 588/4885BCL2 315/4885
US-20200039948-A1 NOVEL GROUP OF STAT3 PATHWAY INHIBITORS AND CANCER STEM CELL PATHWAY INHIBITORS STAT3, JAK2, STAT5B STAT3 1/4885ALDH1A1 765/4885BCL2 470/4885

“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.

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