SCHEMBL12960696

SCHEMBL12960696

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.56
▸ STAT3 P40763 6/20 0.56
▸ MAPT P10636 8/20 0.36
▸ KMT2A Q03164 5/20 0.36
▸ MEN1 O00255 4/20 0.36
▸ RAB9A P51151 4/20 0.36
▸ NPC1 O15118 3/20 0.36
▸ TDP1 Q9NUW8 3/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ USP2 O75604 1/20 0.36
▸ DUSP3 P51452 1/20 0.36
▸ SMN1; SMN2 Q16637 6/20 0.35
▸ LMNA P02545 5/20 0.35
▸ HTT P42858 4/20 0.35
▸ APAF1 O14727 3/20 0.35
▸ NLRP3 Q96P20 1/20 0.35
▸ MITF O75030 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ TUBB4A P04350 1/20 0.34
▸ TUBB P07437 1/20 0.34

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
SCHEMBL19824423 0.91 STAT3 (0.49) ALDH1A1STAT3MAPTKMT2AMEN1
SCHEMBL19820871 0.86 STAT3 (0.57) ALDH1A1STAT3MAPTKMT2AMEN1
SCHEMBL12960697 0.85 STAT3 (0.56) ALDH1A1STAT3MAPTKMT2AMEN1
SCHEMBL16917433 0.76 STAT3 (0.76) ALDH1A1STAT3MAPTKMT2AMEN1
SCHEMBL17690053 0.75 STAT3 (0.56) ALDH1A1STAT3MAPTKMT2AMEN1
Napabucasin SCHEMBL1883845 0.73 STAT3 (1.00) ALDH1A1STAT3MAPTKMT2AMEN1
Napabucasin SCHEMBL29349770 0.73 STAT3 (1.00) ALDH1A1STAT3MAPTKMT2AMEN1
SCHEMBL12640087 0.70 STAT3 (0.75) ALDH1A1STAT3MAPTKMT2AMEN1
SCHEMBL17345477 0.69 STAT3 (0.64) ALDH1A1STAT3MAPTSMN1; SMN2LMNA
SCHEMBL12494612 0.69 STAT3 (0.73) ALDH1A1STAT3MAPTKMT2AMEN1

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 13 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
EP-3050566-A2 A NOVEL GROUP OF STAT3 PATHWAY INHIBITORS AND CANCER STEM CELL PATHWAY INHIBITORS Boston Biomedical, Inc. (US) 2016-08-03 — — EP disclosed
EP-2190429-B1 A NOVEL GROUP OF STAT3 PATHWAY INHIBITORS AND CANCER STEM CELL PATHWAY INHIBITORS BOSTON BIOMEDICAL INC (US) 2016-04-20 — — EP 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 ALDH1A1 810/4885STAT3 1/4885MAPT 4519/4885
US-20180030022-A1 NOVEL GROUP OF STAT3 PATHWAY INHIBITORS AND CANCER STEM CELL PATHWAY INHIBITORS STAT3, JAK2, STAT5B ALDH1A1 765/4885STAT3 1/4885MAPT 4567/4885
US-20210024482-A1 Novel Group of STAT3 Pathway Inhibitors and Cancer Stem Cell Pathway Inhibitors STAT3, STAT5B, JAK2 ALDH1A1 588/4885STAT3 1/4885MAPT 4272/4885
US-20200039948-A1 NOVEL GROUP OF STAT3 PATHWAY INHIBITORS AND CANCER STEM CELL PATHWAY INHIBITORS STAT3, JAK2, STAT5B ALDH1A1 765/4885STAT3 1/4885MAPT 4567/4885

“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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