SCHEMBL13509725

SCHEMBL13509725

O=S(=O)(Nc1cc(Sc2ccccc2)c(O)c2ccccc12)c1ccc(F)cc1F

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.69
▸ BRAF P15056 2/20 0.60
▸ KEAP1 Q14145 4/20 0.58
▸ NFE2L2 Q16236 4/20 0.58
▸ MCL1 Q07820 9/20 0.53
▸ HKDC1 Q2TB90 4/20 0.53
▸ HK1 P19367 1/20 0.53
▸ KDM4E B2RXH2 4/20 0.49
▸ MEN1 O00255 4/20 0.49
▸ ALDH1A1 P00352 4/20 0.49
▸ MAPT P10636 4/20 0.49
▸ KMT2A Q03164 4/20 0.49
▸ SMN1; SMN2 Q16637 4/20 0.49
▸ PKM P14618 3/20 0.49
▸ HPGD P15428 3/20 0.49
▸ HTT P42858 3/20 0.49
▸ L3MBTL1 Q9Y468 3/20 0.49
▸ THRB P10828 2/20 0.49
▸ HTR1A P08908 2/20 0.49
▸ HTR2A P28223 2/20 0.49

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
SCHEMBL13509756 0.91 STAT3 (0.69) STAT3BRAFKEAP1NFE2L2MCL1
SCHEMBL13509736 0.90 STAT3 (0.73) STAT3BRAFKEAP1NFE2L2MCL1
SCHEMBL2465239 0.85 STAT3 (0.73) STAT3BRAFKEAP1NFE2L2MCL1
SCHEMBL13509729 0.84 STAT3 (0.62) STAT3BRAFKEAP1NFE2L2MCL1
SCHEMBL13510200 0.83 KEAP1 (0.51) STAT3BRAFKEAP1NFE2L2MCL1
SCHEMBL13509738 0.83 STAT3 (0.70) STAT3BRAFKEAP1NFE2L2MCL1
SCHEMBL13509747 0.83 STAT3 (0.80) STAT3BRAFKEAP1NFE2L2MCL1
SCHEMBL13578766 0.81 KEAP1 (0.51) STAT3BRAFKEAP1NFE2L2MCL1
SCHEMBL2459723 0.81 STAT3 (0.73) STAT3BRAFKEAP1NFE2L2MCL1
SCHEMBL13509789 0.81 STAT3 (0.66) STAT3BRAFKEAP1NFE2L2MCL1

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11161831-B2 Methods and compositions for treatment of muscle wasting, muscle weakness, and/or cachexia BAYLOR COLLEGE OF MEDICINE (US) 2021-11-02 — — US disclosed
WO-2021113551-A1 THERAPEUTIC COMPOUNDS FOR METHODS OF USE IN INSULIN RESISTANCE BAYLOR COLLEGE OF MEDICINE (US) 2021-06-10 — — WO disclosed
US-20200331880-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF MUSCLE WASTING, MUSCLE WEAKNESS, AND/OR CACHEXIA BAYLOR COLLEGE OF MEDICINE 2020-10-22 — — US disclosed
US-10676455-B2 Methods and compositions for treatment of muscle wasting, muscle weakness, and/or cachexia BAYLOR COLLEGE OF MEDICINE (US) 2020-06-09 — — US disclosed
US-20150051233-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF FIBROSIS BAYLOR COLLEGE OF MEDICINE 2015-02-19 — — US disclosed
US-20150051233-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF FIBROSIS BAYLOR COLLEGE OF MEDICINE 2015-02-19 — — US disclosed
US-20150031714-A1 METHODS AND COMPOSITIONS FOR PREVENTION OF ALLERGIC REACTION BAYLOR COLLEGE OF MEDICINE 2015-01-29 — — US disclosed
US-20150031714-A1 METHODS AND COMPOSITIONS FOR PREVENTION OF ALLERGIC REACTION BAYLOR COLLEGE OF MEDICINE 2015-01-29 — — US disclosed
US-20150024032-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF MUSCLE WASTING, MUSCLE WEAKNESS, AND/OR CACHEXIA BAYLOR COLLEGE OF MEDICINE 2015-01-22 — — US disclosed
US-20150024032-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF MUSCLE WASTING, MUSCLE WEAKNESS, AND/OR CACHEXIA BAYLOR COLLEGE OF MEDICINE 2015-01-22 — — US disclosed
US-20140296270-A1 STAT3 Inhibitors BAYLOR COLLEGE OF MEDICINE (US) 2014-10-02 — — US disclosed
US-20140296270-A1 STAT3 Inhibitors BAYLOR COLLEGE OF MEDICINE (US) 2014-10-02 — — US disclosed
US-8779001-B2 Stat3 inhibitors The United States of America National Institute of Health (NIH) (US) 2014-07-15 — — US disclosed
US-8779001-B2 Stat3 inhibitors The United States of America National Institute of Health (NIH) (US) 2014-07-15 — — US disclosed
US-20110312984-A1 STAT3 INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-12-22 — — US disclosed
US-20110312984-A1 STAT3 INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-12-22 — — US disclosed
US-20100041685-A1 STAT3 INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-02-18 — — US disclosed
US-20100041685-A1 STAT3 INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-02-18 — — US disclosed
WO-2009149192-A1 STAT3 INHIBITORS BAYLOR COLLEGE OF MEDICINE (US) 2009-12-10 — — 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 (9 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-20150051233-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF FIBROSIS STAT3, MMP1, MMP8 STAT3 1/4885BRAF 1327/4885KEAP1 500/4885
US-10676455-B2 Methods and compositions for treatment of muscle wasting, muscle weakness, and/or cachexia PYGM, MYLK2, STAT3 STAT3 3/4885BRAF 2814/4885KEAP1 1375/4885
US-11161831-B2 Methods and compositions for treatment of muscle wasting, muscle weakness, and/or cachexia PYGM, MYLK2, STAT3 STAT3 3/4885BRAF 2814/4885KEAP1 1375/4885
US-20150024032-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF MUSCLE WASTING, MUSCLE WEAKNESS, AND/OR CACHEXIA PYGM, MYLK2, STAT3 STAT3 3/4885BRAF 2814/4885KEAP1 1375/4885
US-20100041685-A1 STAT3 INHIBITORS STAT3, STAT1, JAK2 STAT3 1/4885BRAF 650/4885KEAP1 2561/4885
US-20200331880-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF MUSCLE WASTING, MUSCLE WEAKNESS, AND/OR CACHEXIA PYGM, MYLK2, STAT3 STAT3 3/4885BRAF 2814/4885KEAP1 1375/4885
US-20140296270-A1 STAT3 Inhibitors STAT3, STAT1, JAK2 STAT3 1/4885BRAF 650/4885KEAP1 2561/4885
US-20150031714-A1 METHODS AND COMPOSITIONS FOR PREVENTION OF ALLERGIC REACTION JAK2, STAT3, STAT6 STAT3 2/4885BRAF 1379/4885KEAP1 81/4885
US-20110312984-A1 STAT3 INHIBITORS STAT3, STAT1, JAK2 STAT3 1/4885BRAF 650/4885KEAP1 2561/4885

“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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