SCHEMBL1998229

SCHEMBL1998229

COC(=O)c1ccc(NC(=O)CC(CNS(=O)(=O)c2ccc(Oc3ccccc3)cc2)c2ccc3ccccc3c2)cc1OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 5/20 0.43
FNTB P49356 5/20 0.43
SGMS1 Q86VZ5 1/20 0.41
PLA2G7 Q13093 1/20 0.40
CYP19A1 P11511 1/20 0.40
POLB P06746 1/20 0.39
PGR P06401 1/20 0.39
TNF P01375 1/20 0.39
NOD2 Q9HC29 1/20 0.39
NOD1 Q9Y239 1/20 0.39
ADAMTS4 O75173 2/20 0.38
MMP2 P08253 2/20 0.38
MMP1 P03956 1/20 0.38
MMP9 P14780 1/20 0.38
MMP13 P45452 1/20 0.38
MMP14 P50281 1/20 0.38
ADAM17 P78536 1/20 0.38
ADAMTS5 Q9UNA0 1/20 0.38
MCL1 Q07820 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL1998240 0.91 FNTA (0.48) FNTAFNTBSGMS1PGRLMNA
SCHEMBL1999205 0.88 MCL1 (0.48) FNTAFNTBPLA2G7POLBPGR
SCHEMBL2001935 0.83 FNTA (0.50) FNTAFNTBCYP19A1ALDH1A1
SCHEMBL2000154 0.83 MCL1 (0.58) FNTAFNTBPLA2G7PGRADAMTS4
SCHEMBL1994875 0.82 FNTA (0.47) FNTAFNTBCYP19A1ALDH1A1
SCHEMBL1998941 0.81 FNTA (0.48) FNTAFNTBPLA2G7POLBPGR
SCHEMBL1996715 0.80 MEN1 (0.51) FNTAFNTBPLA2G7PGRALDH1A1
SCHEMBL18392294 0.79 MCL1 (0.58) POLBPGRMCL1ALDH1A1
SCHEMBL1994896 0.79 FNTA (0.54) FNTAFNTBSGMS1PGRMMP1
SCHEMBL1994892 0.73 MCL1 (0.58) FNTAFNTBSGMS1PGRMMP1

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 10 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

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 FNTA 2310/4885FNTB 1660/4885SGMS1 1294/4885
US-20210121427-A1 SMALL MOLECULE INHIBITORS OF STAT3 WITH ANTI-TUMOR ACTIVITY STAT3, STAT1, STAT5A FNTA 2310/4885FNTB 1660/4885SGMS1 1294/4885
US-20110201576-A1 Small molecule inhibitors of stat3 with anti-tumor activity STAT3, STAT1, STAT5A FNTA 2310/4885FNTB 1660/4885SGMS1 1294/4885
US-20090069420-A1 Small molecule inhibitors of STAT3 with anti-tumor activity STAT3, STAT1, STAT5A FNTA 2310/4885FNTB 1660/4885SGMS1 1294/4885
US-20140329900-A1 SMALL MOLECULE INHIBITORS OF STAT3 WITH ANTI-TUMOR ACTIVITY STAT3, STAT1, JAK2 FNTA 1951/4885FNTB 1421/4885SGMS1 1114/4885
US-20190192461-A1 SMALL MOLECULE INHIBITORS OF STAT3 WITH ANTI-TUMOR ACTIVITY STAT3, STAT1, STAT5A FNTA 2310/4885FNTB 1660/4885SGMS1 1294/4885
US-10226439-B2 Small molecule inhibitors of STAT3 with anti-tumor activity STAT3, STAT1, STAT5A FNTA 2310/4885FNTB 1660/4885SGMS1 1294/4885
US-10806712-B2 Small molecule inhibitors of STAT3 with anti-tumor activity STAT3, STAT1, STAT5A FNTA 2310/4885FNTB 1660/4885SGMS1 1294/4885

“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.