SCHEMBL13510154

SCHEMBL13510154

Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(Sc2nc[nH]n2)c(O)c2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FSCN1 Q16658 5/20 0.54
▸ KEAP1 Q14145 4/20 0.51
▸ NFE2L2 Q16236 4/20 0.51
▸ L3MBTL1 Q9Y468 4/20 0.48
▸ MAPT P10636 6/20 0.47
▸ KMT2A Q03164 6/20 0.47
▸ HKDC1 Q2TB90 6/20 0.47
▸ SMN1; SMN2 Q16637 6/20 0.47
▸ MEN1 O00255 5/20 0.47
▸ ALDH1A1 P00352 5/20 0.47
▸ BLM P54132 5/20 0.47
▸ MCL1 Q07820 5/20 0.47
▸ LMNA P02545 4/20 0.47
▸ POLB P06746 4/20 0.47
▸ HPGD P15428 3/20 0.47
▸ THRB P10828 3/20 0.47
▸ KDM4C Q9H3R0 2/20 0.47
▸ NFKBIA P25963 1/20 0.47
▸ RELA Q04206 1/20 0.47
▸ PKM P14618 3/20 0.47

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
SCHEMBL30723345 0.87 FSCN1 (0.69) FSCN1KEAP1NFE2L2L3MBTL1MAPT
SCHEMBL15521868 0.87 FSCN1 (0.69) FSCN1KEAP1NFE2L2L3MBTL1MAPT
SCHEMBL13510164 0.87 KEAP1 (0.53) FSCN1KEAP1NFE2L2L3MBTL1MAPT
SCHEMBL13510218 0.86 FSCN1 (0.57) FSCN1KEAP1NFE2L2L3MBTL1MAPT
SCHEMBL13510191 0.86 KEAP1 (0.47) FSCN1KEAP1NFE2L2MAPTKMT2A
SCHEMBL30723340 0.85 FSCN1 (0.68) FSCN1KEAP1NFE2L2L3MBTL1MAPT
SCHEMBL15521808 0.85 FSCN1 (0.68) FSCN1KEAP1NFE2L2L3MBTL1MAPT
SCHEMBL13510152 0.85 KDM4E (0.63) FSCN1KEAP1NFE2L2L3MBTL1MAPT
SCHEMBL13509701 0.85 STAT3 (0.56) FSCN1KEAP1NFE2L2L3MBTL1MAPT
SCHEMBL15521893 0.84 FSCN1 (0.54) FSCN1KEAP1NFE2L2L3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 FSCN1 1689/4885KEAP1 500/4885NFE2L2 441/4885
US-20150024032-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF MUSCLE WASTING, MUSCLE WEAKNESS, AND/OR CACHEXIA PYGM, MYLK2, STAT3 FSCN1 2788/4885KEAP1 1375/4885NFE2L2 885/4885
US-20100041685-A1 STAT3 INHIBITORS STAT3, STAT1, JAK2 FSCN1 4052/4885KEAP1 2561/4885NFE2L2 956/4885
US-20140296270-A1 STAT3 Inhibitors STAT3, STAT1, JAK2 FSCN1 4052/4885KEAP1 2561/4885NFE2L2 956/4885
US-20150031714-A1 METHODS AND COMPOSITIONS FOR PREVENTION OF ALLERGIC REACTION JAK2, STAT3, STAT6 FSCN1 4799/4885KEAP1 81/4885NFE2L2 194/4885
US-20110312984-A1 STAT3 INHIBITORS STAT3, STAT1, JAK2 FSCN1 4052/4885KEAP1 2561/4885NFE2L2 956/4885

“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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