SCHEMBL1999205

SCHEMBL1999205

COC(=O)c1ccc(NC(=O)CC(CNS(=O)(=O)c2ccc(Oc3ccccc3)cc2)c2ccc3ccccc3c2)cc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.48
FNTA P49354 8/20 0.43
FNTB P49356 8/20 0.43
PLA2G7 Q13093 1/20 0.43
PGR P06401 2/20 0.42
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
PLAU P00749 1/20 0.40
POLB P06746 1/20 0.40
MMP2 P08253 2/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
ADAMTS4 O75173 1/20 0.39
MMP1 P03956 1/20 0.39
MMP13 P45452 1/20 0.39
MMP14 P50281 1/20 0.39
MEP1B Q16820 1/20 0.39
ADAMTS5 Q9UNA0 1/20 0.39
GAA P10253 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL2000154 0.93 MCL1 (0.58) MCL1FNTAFNTBPLA2G7PGR
SCHEMBL1994896 0.90 FNTA (0.54) MCL1FNTAFNTBPGRLMNA
SCHEMBL1998229 0.88 FNTA (0.43) MCL1FNTAFNTBPLA2G7PGR
SCHEMBL1998941 0.84 FNTA (0.48) FNTAFNTBPLA2G7PGRALDH1A1
SCHEMBL1996715 0.84 MEN1 (0.51) FNTAFNTBPLA2G7PGRALDH1A1
SCHEMBL1994892 0.83 MCL1 (0.58) MCL1FNTAFNTBPGRLMNA
SCHEMBL1998240 0.79 FNTA (0.48) FNTAFNTBPGRLMNAGAA
SCHEMBL15055672 0.76 MCL1 (0.80) MCL1PLA2G7PGRALDH1A1
SCHEMBL1997094 0.76 CA12 (0.48) FNTAFNTBALDH1A1LMNAPLAU
SCHEMBL2000109 0.76 CA9 (0.52) ALDH1A1LMNACA2CA9GAA

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 11 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-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-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-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-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-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 MCL1 32/4885FNTA 2310/4885FNTB 1660/4885
US-20210121427-A1 SMALL MOLECULE INHIBITORS OF STAT3 WITH ANTI-TUMOR ACTIVITY STAT3, STAT1, STAT5A MCL1 32/4885FNTA 2310/4885FNTB 1660/4885
US-20110201576-A1 Small molecule inhibitors of stat3 with anti-tumor activity STAT3, STAT1, STAT5A MCL1 32/4885FNTA 2310/4885FNTB 1660/4885
US-20090069420-A1 Small molecule inhibitors of STAT3 with anti-tumor activity STAT3, STAT1, STAT5A MCL1 32/4885FNTA 2310/4885FNTB 1660/4885
US-20140329900-A1 SMALL MOLECULE INHIBITORS OF STAT3 WITH ANTI-TUMOR ACTIVITY STAT3, STAT1, JAK2 MCL1 25/4885FNTA 1951/4885FNTB 1421/4885
US-20190192461-A1 SMALL MOLECULE INHIBITORS OF STAT3 WITH ANTI-TUMOR ACTIVITY STAT3, STAT1, STAT5A MCL1 32/4885FNTA 2310/4885FNTB 1660/4885
US-10226439-B2 Small molecule inhibitors of STAT3 with anti-tumor activity STAT3, STAT1, STAT5A MCL1 32/4885FNTA 2310/4885FNTB 1660/4885
US-10806712-B2 Small molecule inhibitors of STAT3 with anti-tumor activity STAT3, STAT1, STAT5A MCL1 32/4885FNTA 2310/4885FNTB 1660/4885

“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.