SCHEMBL13509898

SCHEMBL13509898

O=S(=O)(Cc1ccc(F)cc1)Nc1cc(-c2c(O)ccc3ccccc23)c(O)c2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.55
▸ HSP90AA1 P07900 9/20 0.52
▸ HSP90AB1 P08238 9/20 0.52
▸ MCL1 Q07820 2/20 0.44
▸ CHEK1 O14757 1/20 0.43
▸ CDK8 P49336 1/20 0.43
▸ NEK2 P51955 1/20 0.43
▸ LIMK1 P53667 1/20 0.43
▸ KMT2A Q03164 1/20 0.41
▸ BRD4 O60885 1/20 0.40
▸ HK1 P19367 1/20 0.39
▸ KEAP1 Q14145 1/20 0.39
▸ NFE2L2 Q16236 1/20 0.39
▸ HKDC1 Q2TB90 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
SCHEMBL13509820 0.91 STAT3 (0.59) STAT3HSP90AA1HSP90AB1MCL1
SCHEMBL13509900 0.90 STAT3 (0.53) STAT3HSP90AA1HSP90AB1MCL1CHEK1
SCHEMBL13509814 0.84 STAT3 (0.66) STAT3HSP90AA1HSP90AB1KMT2A
SCHEMBL5991309 0.84 STAT3 (0.76) STAT3HSP90AA1HSP90AB1MCL1CHEK1
SCHEMBL13578784 0.81 STAT3 (0.49) STAT3HSP90AA1HSP90AB1MCL1
SCHEMBL13509819 0.81 STAT3 (0.61) STAT3HSP90AA1HSP90AB1KMT2A
SCHEMBL13509874 0.79 STAT3 (0.60) STAT3HSP90AA1HSP90AB1CHEK1CDK8
SCHEMBL13509823 0.79 STAT3 (0.60) STAT3HSP90AA1HSP90AB1CHEK1CDK8
SCHEMBL13509816 0.79 STAT3 (0.65) STAT3HSP90AA1HSP90AB1KMT2A
SCHEMBL13509822 0.79 STAT3 (0.59) STAT3HSP90AA1HSP90AB1

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 18 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

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

“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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