SCHEMBL13509772

SCHEMBL13509772

O=S(=O)(CCCOc1ccccc1)Nc1cc(Sc2ccccc2)c(O)c2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 2/20 0.55
▸ BRAF P15056 3/20 0.53
▸ MCL1 Q07820 9/20 0.48
▸ BCL2 P10415 1/20 0.48
▸ BCL2L1 Q07817 1/20 0.48
▸ BCL2A1 Q16548 1/20 0.48
▸ BCL2L2 Q92843 1/20 0.48
▸ MEN1 O00255 4/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ POLB P06746 3/20 0.46
▸ G6PD P11413 3/20 0.46
▸ BLM P54132 2/20 0.46
▸ TDP2 O95551 2/20 0.46
▸ CFTR P13569 2/20 0.46
▸ GOPC Q9HD26 2/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ KEAP1 Q14145 3/20 0.44
▸ NFE2L2 Q16236 3/20 0.44
▸ FSCN1 Q16658 1/20 0.44
▸ HKDC1 Q2TB90 4/20 0.44

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
SCHEMBL13510250 0.86 BRAF (0.52) STAT3BRAFMCL1BCL2BCL2L1
SCHEMBL13509707 0.85 BRAF (0.63) STAT3BRAFMCL1BCL2BCL2L1
SCHEMBL13509706 0.83 STAT3 (0.61) STAT3BRAFMCL1BCL2BCL2L1
SCHEMBL13510111 0.83 MEN1 (0.68) BRAFMCL1BCL2BCL2L1BCL2A1
SCHEMBL13509704 0.82 STAT3 (0.66) STAT3BRAFMCL1BCL2BCL2L1
SCHEMBL13510355 0.82 BRAF (0.47) BRAFMCL1BCL2BCL2L1BCL2A1
SCHEMBL13510500 0.82 EP300 (0.49) BRAFMCL1BCL2BCL2L1BCL2A1
SCHEMBL13509723 0.82 STAT3 (0.62) STAT3BRAFMCL1BCL2BCL2L1
SCHEMBL13509761 0.79 STAT3 (0.52) STAT3BRAFMCL1BCL2BCL2L1
SCHEMBL13509769 0.77 STAT3 (0.62) STAT3BRAFMCL1MEN1KMT2A

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 1/4885BRAF 1327/4885MCL1 2185/4885
US-10676455-B2 Methods and compositions for treatment of muscle wasting, muscle weakness, and/or cachexia PYGM, MYLK2, STAT3 STAT3 3/4885BRAF 2814/4885MCL1 2021/4885
US-11161831-B2 Methods and compositions for treatment of muscle wasting, muscle weakness, and/or cachexia PYGM, MYLK2, STAT3 STAT3 3/4885BRAF 2814/4885MCL1 2021/4885
US-20150024032-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF MUSCLE WASTING, MUSCLE WEAKNESS, AND/OR CACHEXIA PYGM, MYLK2, STAT3 STAT3 3/4885BRAF 2814/4885MCL1 2021/4885
US-20100041685-A1 STAT3 INHIBITORS STAT3, STAT1, JAK2 STAT3 1/4885BRAF 650/4885MCL1 54/4885
US-20200331880-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF MUSCLE WASTING, MUSCLE WEAKNESS, AND/OR CACHEXIA PYGM, MYLK2, STAT3 STAT3 3/4885BRAF 2814/4885MCL1 2021/4885
US-20140296270-A1 STAT3 Inhibitors STAT3, STAT1, JAK2 STAT3 1/4885BRAF 650/4885MCL1 54/4885
US-20150031714-A1 METHODS AND COMPOSITIONS FOR PREVENTION OF ALLERGIC REACTION JAK2, STAT3, STAT6 STAT3 2/4885BRAF 1379/4885MCL1 2083/4885
US-20110312984-A1 STAT3 INHIBITORS STAT3, STAT1, JAK2 STAT3 1/4885BRAF 650/4885MCL1 54/4885

“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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