SCHEMBL13510191

SCHEMBL13510191

O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1cc(Sc2nc[nH]n2)c(O)c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 8/20 0.47
▸ NFE2L2 Q16236 8/20 0.47
▸ FSCN1 Q16658 7/20 0.47
▸ HKDC1 Q2TB90 3/20 0.47
▸ HK1 P19367 2/20 0.47
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ TDP1 Q9NUW8 3/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ POLB P06746 2/20 0.46
▸ GAA P10253 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ THRB P10828 2/20 0.46
▸ BLM P54132 2/20 0.46
▸ CASP6 P55212 2/20 0.46
▸ MCL1 Q07820 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ G6PD P11413 1/20 0.46
▸ MPI P34949 1/20 0.46

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
SCHEMBL13510164 0.86 KEAP1 (0.53) KEAP1NFE2L2FSCN1HKDC1HK1
SCHEMBL13510213 0.86 BRAF (0.52) KEAP1NFE2L2FSCN1HKDC1HK1
SCHEMBL13510154 0.86 FSCN1 (0.54) KEAP1NFE2L2FSCN1HKDC1HK1
SCHEMBL13510273 0.85 HKDC1 (0.50) KEAP1NFE2L2FSCN1HKDC1HK1
SCHEMBL13510269 0.85 MCL1 (0.59) KEAP1NFE2L2FSCN1HKDC1HK1
SCHEMBL13510152 0.84 KDM4E (0.63) KEAP1NFE2L2FSCN1HKDC1HK1
SCHEMBL13509721 0.84 STAT3 (0.61) KEAP1NFE2L2HKDC1HK1MEN1
SCHEMBL13510224 0.83 ABL1 (0.51) KEAP1NFE2L2FSCN1HKDC1HK1
SCHEMBL13510172 0.83 KEAP1 (0.54) KEAP1NFE2L2FSCN1HKDC1MEN1
SCHEMBL13510145 0.83 KEAP1 (0.66) KEAP1NFE2L2FSCN1HKDC1HK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021113551-A1 THERAPEUTIC COMPOUNDS FOR METHODS OF USE IN INSULIN RESISTANCE BAYLOR COLLEGE OF MEDICINE (US) 2021-06-10 — — WO 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-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-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-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 (6 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 KEAP1 500/4885NFE2L2 441/4885FSCN1 1689/4885
US-20150024032-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF MUSCLE WASTING, MUSCLE WEAKNESS, AND/OR CACHEXIA PYGM, MYLK2, STAT3 KEAP1 1375/4885NFE2L2 885/4885FSCN1 2788/4885
US-20100041685-A1 STAT3 INHIBITORS STAT3, STAT1, JAK2 KEAP1 2561/4885NFE2L2 956/4885FSCN1 4052/4885
US-20140296270-A1 STAT3 Inhibitors STAT3, STAT1, JAK2 KEAP1 2561/4885NFE2L2 956/4885FSCN1 4052/4885
US-20150031714-A1 METHODS AND COMPOSITIONS FOR PREVENTION OF ALLERGIC REACTION JAK2, STAT3, STAT6 KEAP1 81/4885NFE2L2 194/4885FSCN1 4799/4885
US-20110312984-A1 STAT3 INHIBITORS STAT3, STAT1, JAK2 KEAP1 2561/4885NFE2L2 956/4885FSCN1 4052/4885

“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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