SCHEMBL13510152

SCHEMBL13510152

O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cc(Sc3nc[nH]n3)c(O)c3ccccc23)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.63
▸ ALDH1A1 P00352 5/20 0.63
▸ MAPT P10636 5/20 0.63
▸ KMT2A Q03164 5/20 0.63
▸ HKDC1 Q2TB90 4/20 0.63
▸ POLB P06746 3/20 0.63
▸ BLM P54132 3/20 0.63
▸ MCL1 Q07820 3/20 0.63
▸ L3MBTL1 Q9Y468 3/20 0.63
▸ G6PD P11413 2/20 0.63
▸ TDP2 O95551 1/20 0.63
▸ PABPC1 P11940 1/20 0.63
▸ CFTR P13569 1/20 0.63
▸ GALK1 P51570 1/20 0.63
▸ VCP P55072 1/20 0.63
▸ GOPC Q9HD26 1/20 0.63
▸ DDX3X O00571 1/20 0.52
▸ KEAP1 Q14145 6/20 0.51
▸ NFE2L2 Q16236 6/20 0.51
▸ MEN1 O00255 4/20 0.51

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 0.92 KEAP1 (0.53) KDM4EALDH1A1MAPTKMT2AHKDC1
SCHEMBL13510145 0.86 KEAP1 (0.66) KDM4EALDH1A1MAPTKMT2AHKDC1
SCHEMBL13510154 0.85 FSCN1 (0.54) KDM4EALDH1A1MAPTKMT2AHKDC1
SCHEMBL13510215 0.85 KEAP1 (0.54) KDM4EALDH1A1MAPTKMT2AHKDC1
SCHEMBL13510270 0.85 MCL1 (0.61) KDM4EALDH1A1MAPTKMT2AHKDC1
SCHEMBL13510227 0.85 HKDC1 (0.55) KDM4EALDH1A1MAPTKMT2AHKDC1
SCHEMBL13510191 0.84 KEAP1 (0.47) KDM4EALDH1A1MAPTKMT2AHKDC1
SCHEMBL13510151 0.84 KEAP1 (0.68) KDM4EALDH1A1MAPTKMT2AHKDC1
SCHEMBL13509699 0.84 MCL1 (0.74) KDM4EALDH1A1MAPTKMT2AHKDC1
SCHEMBL13510214 0.83 KEAP1 (0.58) KDM4EALDH1A1MAPTKMT2AHKDC1

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 KDM4E 1393/4885ALDH1A1 956/4885MAPT 4582/4885
US-20150024032-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF MUSCLE WASTING, MUSCLE WEAKNESS, AND/OR CACHEXIA PYGM, MYLK2, STAT3 KDM4E 801/4885ALDH1A1 3308/4885MAPT 4424/4885
US-20100041685-A1 STAT3 INHIBITORS STAT3, STAT1, JAK2 KDM4E 2038/4885ALDH1A1 2446/4885MAPT 4326/4885
US-20140296270-A1 STAT3 Inhibitors STAT3, STAT1, JAK2 KDM4E 2038/4885ALDH1A1 2446/4885MAPT 4326/4885
US-20150031714-A1 METHODS AND COMPOSITIONS FOR PREVENTION OF ALLERGIC REACTION JAK2, STAT3, STAT6 KDM4E 578/4885ALDH1A1 932/4885MAPT 4694/4885
US-20110312984-A1 STAT3 INHIBITORS STAT3, STAT1, JAK2 KDM4E 2038/4885ALDH1A1 2446/4885MAPT 4326/4885

“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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