SCHEMBL13509801

SCHEMBL13509801

O=S(=O)(Nc1cc(-c2c(O)ccc3ccccc23)c(O)c2ccccc12)c1cccs1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 2/20 0.70
▸ HSP90AB1 P08238 2/20 0.70
▸ STAT3 P40763 1/20 0.62
▸ BRAF P15056 9/20 0.61
▸ MEN1 O00255 1/20 0.60
▸ KMT2A Q03164 1/20 0.60
▸ HKDC1 Q2TB90 1/20 0.60
▸ PGAM1 P18669 1/20 0.54
▸ BCL2 P10415 1/20 0.53
▸ BID P55957 1/20 0.53
▸ BCL2L1 Q07817 1/20 0.53
▸ MCL1 Q07820 1/20 0.53
▸ KEAP1 Q14145 1/20 0.53
▸ NFE2L2 Q16236 1/20 0.53
▸ BCL2A1 Q16548 1/20 0.53
▸ BCL2L2 Q92843 1/20 0.53
▸ MMP2 P08253 2/20 0.48
▸ HSD17B1 P14061 1/20 0.48
▸ HSD17B2 P37059 1/20 0.48
▸ CCR2 P41597 1/20 0.45

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
SCHEMBL13509836 0.83 STAT3 (0.63) HSP90AA1HSP90AB1STAT3BRAFMEN1
SCHEMBL13509821 0.83 STAT3 (0.60) HSP90AA1HSP90AB1STAT3BRAFMEN1
SCHEMBL13509796 0.81 STAT3 (0.78) HSP90AA1HSP90AB1STAT3BRAFMEN1
SCHEMBL13509830 0.81 STAT3 (0.60) HSP90AA1HSP90AB1STAT3BRAFPGAM1
SCHEMBL13509803 0.80 STAT3 (0.67) HSP90AA1HSP90AB1STAT3MEN1KMT2A
SCHEMBL13509814 0.79 STAT3 (0.66) HSP90AA1HSP90AB1STAT3MEN1KMT2A
SCHEMBL13509800 0.79 STAT3 (0.76) HSP90AA1HSP90AB1STAT3MEN1KMT2A
SCHEMBL13509942 0.79 STAT3 (0.63) HSP90AA1HSP90AB1STAT3PGAM1MCL1
SCHEMBL13509924 0.79 STAT3 (0.63) HSP90AA1HSP90AB1STAT3PGAM1MCL1
SCHEMBL13509839 0.79 STAT3 (0.63) HSP90AA1HSP90AB1STAT3PGAM1HSD17B1

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 HSP90AA1 347/4885HSP90AB1 230/4885STAT3 1/4885
US-10676455-B2 Methods and compositions for treatment of muscle wasting, muscle weakness, and/or cachexia PYGM, MYLK2, STAT3 HSP90AA1 508/4885HSP90AB1 346/4885STAT3 3/4885
US-11161831-B2 Methods and compositions for treatment of muscle wasting, muscle weakness, and/or cachexia PYGM, MYLK2, STAT3 HSP90AA1 508/4885HSP90AB1 346/4885STAT3 3/4885
US-20150024032-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF MUSCLE WASTING, MUSCLE WEAKNESS, AND/OR CACHEXIA PYGM, MYLK2, STAT3 HSP90AA1 508/4885HSP90AB1 346/4885STAT3 3/4885
US-20100041685-A1 STAT3 INHIBITORS STAT3, STAT1, JAK2 HSP90AA1 231/4885HSP90AB1 254/4885STAT3 1/4885
US-20200331880-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF MUSCLE WASTING, MUSCLE WEAKNESS, AND/OR CACHEXIA PYGM, MYLK2, STAT3 HSP90AA1 508/4885HSP90AB1 346/4885STAT3 3/4885
US-20140296270-A1 STAT3 Inhibitors STAT3, STAT1, JAK2 HSP90AA1 231/4885HSP90AB1 254/4885STAT3 1/4885
US-20150031714-A1 METHODS AND COMPOSITIONS FOR PREVENTION OF ALLERGIC REACTION JAK2, STAT3, STAT6 HSP90AA1 1192/4885HSP90AB1 937/4885STAT3 2/4885
US-20110312984-A1 STAT3 INHIBITORS STAT3, STAT1, JAK2 HSP90AA1 231/4885HSP90AB1 254/4885STAT3 1/4885

“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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