SCHEMBL1993952

SCHEMBL1993952

O=C(CCc1ccccc1)Nc1ccc(C(=O)O)c(O)c1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.66
MAPT P10636 2/20 0.66
HTT P42858 1/20 0.62
ALOX15 P16050 3/20 0.60
MCL1 Q07820 1/20 0.59
BCL2A1 Q16548 1/20 0.59
PKM P14618 1/20 0.58
KMT2A Q03164 1/20 0.58
TSHR P16473 1/20 0.57
RAB9A P51151 4/20 0.56
NPC1 O15118 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
LMNA P02545 1/20 0.55
ALDH1A1 P00352 1/20 0.54
TOP2A P11388 1/20 0.54
TOP2B Q02880 1/20 0.54
TRPV1 Q8NER1 1/20 0.54

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
SCHEMBL2004145 0.92 TRPV1 (0.66) GAAMAPTALOX15MCL1PKM
SCHEMBL29614981 0.89 MAPT (0.66) GAAMAPTHTTALOX15MCL1
SCHEMBL13593266 0.86 KMT2A (0.61) PKMKMT2ATSHRNPC1ALDH1A1
SCHEMBL1130032 0.85 KMT2A (0.61) GAAMAPTMCL1PKMKMT2A
SCHEMBL12359424 0.84 GAA (0.64) GAAMAPTHTTALOX15MCL1
SCHEMBL8748442 0.84 KMT2A (0.60) GAAMAPTMCL1PKMKMT2A
SCHEMBL7433435 0.83 KMT2A (0.52) GAAMAPTHTTALOX15MCL1
SCHEMBL2128835 0.81 ALDH1A1 (0.68) GAAMAPTHTTPKMKMT2A
SCHEMBL1997850 0.80 PTPRC (0.60) PKMKMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL9151596 0.80 MGLL (0.62) GAAMAPTALOX15PKMKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210121427-A1 SMALL MOLECULE INHIBITORS OF STAT3 WITH ANTI-TUMOR ACTIVITY H LEE MOFFITT CANCER CT & RES (US) 2021-04-29 US disclosed
US-20210121427-A1 SMALL MOLECULE INHIBITORS OF STAT3 WITH ANTI-TUMOR ACTIVITY H LEE MOFFITT CANCER CT & RES (US) 2021-04-29 US disclosed
US-10806712-B2 Small molecule inhibitors of STAT3 with anti-tumor activity H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2020-10-20 US disclosed
US-10806712-B2 Small molecule inhibitors of STAT3 with anti-tumor activity H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2020-10-20 US disclosed
US-20190192461-A1 SMALL MOLECULE INHIBITORS OF STAT3 WITH ANTI-TUMOR ACTIVITY H LEE MOFFITT CANCER CT & RES (US) 2019-06-27 US disclosed
US-20190192461-A1 SMALL MOLECULE INHIBITORS OF STAT3 WITH ANTI-TUMOR ACTIVITY H LEE MOFFITT CANCER CT & RES (US) 2019-06-27 US disclosed
US-10226439-B2 Small molecule inhibitors of STAT3 with anti-tumor activity H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2019-03-12 US disclosed
US-10226439-B2 Small molecule inhibitors of STAT3 with anti-tumor activity H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2019-03-12 US disclosed
US-20170202795-A1 SMALL MOLECULE INHIBITORS OF STAT3 WITH ANTI-TUMOR ACTIVITY H LEE MOFFITT CANCER CT & RES (US) 2017-07-20 US disclosed
US-20170202795-A1 SMALL MOLECULE INHIBITORS OF STAT3 WITH ANTI-TUMOR ACTIVITY H LEE MOFFITT CANCER CT & RES (US) 2017-07-20 US disclosed
US-9604923-B2 Small molecule inhibitors of STAT3 with anti-tumor activity H.LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2017-03-28 US disclosed
US-9604923-B2 Small molecule inhibitors of STAT3 with anti-tumor activity H.LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2017-03-28 US disclosed
US-20140329900-A1 SMALL MOLECULE INHIBITORS OF STAT3 WITH ANTI-TUMOR ACTIVITY H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2014-11-06 US disclosed
US-20140329900-A1 SMALL MOLECULE INHIBITORS OF STAT3 WITH ANTI-TUMOR ACTIVITY H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2014-11-06 US disclosed
US-20110201576-A1 Small molecule inhibitors of stat3 with anti-tumor activity H. LEE MOFFITT CANCER CENTER & RESEARCH INSTITUTE (US) 2011-08-18 US disclosed
US-7960434-B2 Small molecule inhibitors of STAT3 with anti-tumor activity UNIVERSITY OF SOUTH FLORIDA (US) 2011-06-14 US disclosed
US-7960434-B2 Small molecule inhibitors of STAT3 with anti-tumor activity UNIVERSITY OF SOUTH FLORIDA (US) 2011-06-14 US disclosed
US-20090069420-A1 Small molecule inhibitors of STAT3 with anti-tumor activity H. LEE MOFFITT CANCER CENTER & RESEARCH INSTITUTE (US) 2009-03-12 US disclosed
US-20090069420-A1 Small molecule inhibitors of STAT3 with anti-tumor activity H. LEE MOFFITT CANCER CENTER & RESEARCH INSTITUTE (US) 2009-03-12 US disclosed
WO-2007136858-A2 SMALL MOLECULE INHIBITORS OF STAT3 WITH ANTI-TUMOR ACTIVITY H. LEE MOFFITT CANCER CENTER & RESEARCH INSTITUTE (US) 2007-11-29 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 (8 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-20170202795-A1 SMALL MOLECULE INHIBITORS OF STAT3 WITH ANTI-TUMOR ACTIVITY STAT3, STAT1, STAT5A GAA 4022/4885MAPT 4441/4885HTT 3741/4885
US-20210121427-A1 SMALL MOLECULE INHIBITORS OF STAT3 WITH ANTI-TUMOR ACTIVITY STAT3, STAT1, STAT5A GAA 4022/4885MAPT 4441/4885HTT 3741/4885
US-20110201576-A1 Small molecule inhibitors of stat3 with anti-tumor activity STAT3, STAT1, STAT5A GAA 4022/4885MAPT 4441/4885HTT 3741/4885
US-20090069420-A1 Small molecule inhibitors of STAT3 with anti-tumor activity STAT3, STAT1, STAT5A GAA 4022/4885MAPT 4441/4885HTT 3741/4885
US-20140329900-A1 SMALL MOLECULE INHIBITORS OF STAT3 WITH ANTI-TUMOR ACTIVITY STAT3, STAT1, JAK2 GAA 3887/4885MAPT 4537/4885HTT 3684/4885
US-20190192461-A1 SMALL MOLECULE INHIBITORS OF STAT3 WITH ANTI-TUMOR ACTIVITY STAT3, STAT1, STAT5A GAA 4022/4885MAPT 4441/4885HTT 3741/4885
US-10226439-B2 Small molecule inhibitors of STAT3 with anti-tumor activity STAT3, STAT1, STAT5A GAA 4022/4885MAPT 4441/4885HTT 3741/4885
US-10806712-B2 Small molecule inhibitors of STAT3 with anti-tumor activity STAT3, STAT1, STAT5A GAA 4022/4885MAPT 4441/4885HTT 3741/4885

“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.