SCHEMBL6000950

SCHEMBL6000950

CC(=O)c1cc2c(s1)C(=O)c1ccccc1C2=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 4/20 0.46
ALDH1A1 P00352 3/20 0.46
S100A4 P26447 1/20 0.45
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAOA P21397 2/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CDC25B P30305 1/20 0.41
MAPK14 Q16539 1/20 0.41
BCL2 P10415 2/20 0.41
MCL1 Q07820 2/20 0.41
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
TTR P02766 1/20 0.40
HPGD P15428 2/20 0.39
MAOB P27338 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL13924972 0.87 NR1H2 (0.41) STAT3ALDH1A1S100A4MEN1KMT2A
SCHEMBL6995078 0.84 S100A4 (0.51) ALDH1A1S100A4MEN1KMT2AMAOA
SCHEMBL10037461 0.83 MAOA (0.56) STAT3ALDH1A1MEN1KMT2AMAOA
SCHEMBL20187634 0.83 ALDH1A1 (0.54) STAT3ALDH1A1MEN1KMT2AMAOA
SCHEMBL18384539 0.82 MAPK14 (0.48) STAT3ALDH1A1MAOAMAPTSMN1; SMN2
SCHEMBL18384601 0.82 MAPK14 (0.48) STAT3ALDH1A1MAOAMAPTSMN1; SMN2
SCHEMBL18384613 0.81 GAA (0.49) S100A4MEN1KMT2ACDC25BMAPK14
SCHEMBL18384503 0.81 TDP2 (0.45) S100A4MEN1KMT2ACDC25BMAPK14
SCHEMBL6992698 0.80 CES1 (0.46) STAT3ALDH1A1MAPTMAPK14HPGD
SCHEMBL6001534 0.80 MAPK14 (0.48) ALDH1A1MEN1KMT2AMAOAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1093456-B1 NAPHTHO- AND DIHYDROBENZO-THIOPHENE DERIVATIVES AS CYTOTOXIC ANTITUMOR AGENTS UNIV NORTH CAROLINA (US) 2003-12-17 EP claimed
EP-1093456-A2 NAPHTHO- AND DIHYDROBENZO-THIOPHENE DERIVATIVES AS CYTOTOXIC ANTITUMOR AGENTS UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2001-04-25 EP claimed
US-6174913-B1 TREATING TUMOR BY ADMINISTERING COMPOUNDS E.G.:2-ACETYL-NAPHTHO(2,3-B)THIOPHENE-4,9-DIONE; 2,7-DIACETYL-NAPHTHO(2,3-B)THIOPHENE-4,9-DIONE THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2001-01-16 US claimed
WO-1999062909-A9 NAPHTHO- AND DIHYDROBENZO-THIOPHENE DERIVATIVES AS CYTOTOXIC ANTITUMOR AGENTS UNIV NORTH CAROLINA (US) 2000-04-27 WO claimed
WO-1999062909-A2 NAPHTHO- AND DIHYDROBENZO-THIOPHENE DERIVATIVES AS CYTOTOXIC ANTITUMOR AGENTS UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1999-12-09 WO claimed
US-10851075-B2 Stat3 pathway inhibitors and cancer stem cell inhibitors SUMITOMO DAINIPPON PHARMA ONCOLOGY, INC. (US) 2020-12-01 US disclosed
US-20190263768-A1 NOVEL STAT3 PATHWAY INHIBITORS AND CANCER STEM CELL INHIBITORS BOSTON BIOMEDICAL, INC. 2019-08-29 US disclosed
EP-3058941-B1 NOVEL STAT3 PATHWAY INHIBITORS AND CANCER STEM CELL INHIBITORS BOSTON BIOMEDICAL INC (US) 2019-05-22 EP disclosed
US-9834532-B2 Stat3 pathway inhibitors and cancer stem cell inhibitors BOSTON BIOMEDICAL, INC. (US) 2017-12-05 US disclosed
US-9834532-B2 Stat3 pathway inhibitors and cancer stem cell inhibitors BOSTON BIOMEDICAL, INC. (US) 2017-12-05 US disclosed
US-20170197932-A1 NOVEL STAT3 PATHWAY INHIBITORS AND CANCER STEM CELL INHIBITORS BOSTON BIOMEDICAL INC (US) 2017-07-13 US disclosed
US-20170197932-A1 NOVEL STAT3 PATHWAY INHIBITORS AND CANCER STEM CELL INHIBITORS BOSTON BIOMEDICAL INC (US) 2017-07-13 US disclosed
EP-1551392-A2 NOVEL LAPACHO COMPOUNDS AND METHODS OF USE THEREOF ARQULE, INC. (US) 2005-07-13 EP disclosed
WO-2004026253-A2 NOVEL LAPACHO COMPOUNDS AND METHODS OF USE THEREOF ARQULE, INC. (US) 2004-04-01 WO disclosed
EP-1093456-B1 NAPHTHO- AND DIHYDROBENZO-THIOPHENE DERIVATIVES AS CYTOTOXIC ANTITUMOR AGENTS UNIV NORTH CAROLINA (US) 2003-12-17 EP disclosed
US-6337346-B1 BENZODITHIOPHENE DERIVATIVES UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2002-01-08 US disclosed
EP-1093456-A2 NAPHTHO- AND DIHYDROBENZO-THIOPHENE DERIVATIVES AS CYTOTOXIC ANTITUMOR AGENTS UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2001-04-25 EP disclosed
US-6174913-B1 TREATING TUMOR BY ADMINISTERING COMPOUNDS E.G.:2-ACETYL-NAPHTHO(2,3-B)THIOPHENE-4,9-DIONE; 2,7-DIACETYL-NAPHTHO(2,3-B)THIOPHENE-4,9-DIONE THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2001-01-16 US disclosed
WO-1999062909-A9 NAPHTHO- AND DIHYDROBENZO-THIOPHENE DERIVATIVES AS CYTOTOXIC ANTITUMOR AGENTS UNIV NORTH CAROLINA (US) 2000-04-27 WO disclosed
WO-1999062909-A2 NAPHTHO- AND DIHYDROBENZO-THIOPHENE DERIVATIVES AS CYTOTOXIC ANTITUMOR AGENTS UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1999-12-09 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 (3 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-20170197932-A1 NOVEL STAT3 PATHWAY INHIBITORS AND CANCER STEM CELL INHIBITORS STAT3, STAT1, JAK2 STAT3 1/4885ALDH1A1 677/4885S100A4 3330/4885
US-10851075-B2 Stat3 pathway inhibitors and cancer stem cell inhibitors STAT3, STAT1, JAK2 STAT3 1/4885ALDH1A1 545/4885S100A4 3540/4885
US-20190263768-A1 NOVEL STAT3 PATHWAY INHIBITORS AND CANCER STEM CELL INHIBITORS STAT3, STAT1, STAT5B STAT3 1/4885ALDH1A1 630/4885S100A4 3279/4885

“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.