SCHEMBL13510164

SCHEMBL13510164

O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(Sc3nc[nH]n3)c(O)c3ccccc23)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 7/20 0.53
▸ NFE2L2 Q16236 7/20 0.53
▸ KDM4E B2RXH2 5/20 0.53
▸ ALDH1A1 P00352 5/20 0.53
▸ MAPT P10636 5/20 0.53
▸ KMT2A Q03164 5/20 0.53
▸ MCL1 Q07820 4/20 0.53
▸ MEN1 O00255 4/20 0.53
▸ SMN1; SMN2 Q16637 4/20 0.53
▸ POLB P06746 3/20 0.53
▸ BLM P54132 3/20 0.53
▸ HKDC1 Q2TB90 3/20 0.53
▸ THRB P10828 3/20 0.53
▸ HTT P42858 3/20 0.53
▸ GAA P10253 2/20 0.53
▸ CASP6 P55212 2/20 0.53
▸ TDP1 Q9NUW8 2/20 0.53
▸ G6PD P11413 2/20 0.53
▸ MPI P34949 1/20 0.53
▸ PAX8 Q06710 1/20 0.53

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
SCHEMBL13510152 0.92 KDM4E (0.63) KEAP1NFE2L2KDM4EALDH1A1MAPT
SCHEMBL13510145 0.89 KEAP1 (0.66) KEAP1NFE2L2KDM4EALDH1A1MAPT
SCHEMBL13510154 0.87 FSCN1 (0.54) KEAP1NFE2L2KDM4EALDH1A1MAPT
SCHEMBL13510146 0.87 KEAP1 (0.59) KEAP1NFE2L2KDM4EALDH1A1MAPT
SCHEMBL30723351 0.87 KEAP1 (0.68) KEAP1NFE2L2KDM4EALDH1A1MAPT
SCHEMBL29937504 0.87 KEAP1 (0.68) KEAP1NFE2L2KDM4EALDH1A1MAPT
SCHEMBL15521861 0.87 KEAP1 (0.68) KEAP1NFE2L2KDM4EALDH1A1MAPT
SCHEMBL13510149 0.87 HKDC1 (0.68) KEAP1NFE2L2KDM4EALDH1A1MAPT
SCHEMBL13510191 0.86 KEAP1 (0.47) KEAP1NFE2L2KDM4EALDH1A1MAPT
SCHEMBL13510268 0.86 MCL1 (0.64) KEAP1NFE2L2KDM4EALDH1A1MAPT

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-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

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 441/4885KDM4E 1393/4885
US-20150024032-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF MUSCLE WASTING, MUSCLE WEAKNESS, AND/OR CACHEXIA PYGM, MYLK2, STAT3 KEAP1 1375/4885NFE2L2 885/4885KDM4E 801/4885
US-20100041685-A1 STAT3 INHIBITORS STAT3, STAT1, JAK2 KEAP1 2561/4885NFE2L2 956/4885KDM4E 2038/4885
US-20140296270-A1 STAT3 Inhibitors STAT3, STAT1, JAK2 KEAP1 2561/4885NFE2L2 956/4885KDM4E 2038/4885
US-20150031714-A1 METHODS AND COMPOSITIONS FOR PREVENTION OF ALLERGIC REACTION JAK2, STAT3, STAT6 KEAP1 81/4885NFE2L2 194/4885KDM4E 578/4885
US-20110312984-A1 STAT3 INHIBITORS STAT3, STAT1, JAK2 KEAP1 2561/4885NFE2L2 956/4885KDM4E 2038/4885

“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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