Sugi Predict

Sugi Predict / Compounds / SCHEMBL1995072

SCHEMBL1995072

SCHEMBL1995072

COC(=O)c1ccc(NC(=O)CC(C[N+](=O)[O-])c2ccc(Cl)cc2)cc1OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FNTA P49354 8/20 0.51
▸ FNTB P49356 8/20 0.51
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ PTGER1 P34995 3/20 0.41
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ MAPT P10636 2/20 0.40
▸ CYP19A1 P11511 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ ACP1 P24666 1/20 0.39
▸ PTPN12 Q05209 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
SCHEMBL1994875 0.89 FNTA (0.47) FNTAFNTBALDH1A1MEN1KMT2A
SCHEMBL1998497 0.88 FNTA (0.54) FNTAFNTBALDH1A1LMNAL3MBTL1
SCHEMBL16221614 0.83 TDP1 (0.44) FNTAFNTBMEN1KMT2AMAPT
SCHEMBL1998240 0.81 FNTA (0.48) FNTAFNTBLMNAMAPT
SCHEMBL12617086 0.77 FNTA (0.45) FNTAFNTBALDH1A1LMNAMEN1
SCHEMBL2001935 0.77 FNTA (0.50) FNTAFNTBALDH1A1CYP19A1F2
SCHEMBL21434703 0.74 PTGER1 (0.57) ALDH1A1LMNAPTGER1KMT2AKDM4E
SCHEMBL7911112 0.72 MAOB (0.57) ALDH1A1PTGER1MEN1KMT2AKDM4E
SCHEMBL7910948 0.72 MAOB (0.57) ALDH1A1PTGER1MEN1KMT2AKDM4E
SCHEMBL1998229 0.72 FNTA (0.43) FNTAFNTBALDH1A1LMNACYP19A1

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 FNTA 2310/4885FNTB 1660/4885ALDH1A1 3674/4885
US-20210121427-A1 SMALL MOLECULE INHIBITORS OF STAT3 WITH ANTI-TUMOR ACTIVITY STAT3, STAT1, STAT5A FNTA 2310/4885FNTB 1660/4885ALDH1A1 3674/4885
US-20110201576-A1 Small molecule inhibitors of stat3 with anti-tumor activity STAT3, STAT1, STAT5A FNTA 2310/4885FNTB 1660/4885ALDH1A1 3674/4885
US-20090069420-A1 Small molecule inhibitors of STAT3 with anti-tumor activity STAT3, STAT1, STAT5A FNTA 2310/4885FNTB 1660/4885ALDH1A1 3674/4885
US-20140329900-A1 SMALL MOLECULE INHIBITORS OF STAT3 WITH ANTI-TUMOR ACTIVITY STAT3, STAT1, JAK2 FNTA 1951/4885FNTB 1421/4885ALDH1A1 3626/4885
US-20190192461-A1 SMALL MOLECULE INHIBITORS OF STAT3 WITH ANTI-TUMOR ACTIVITY STAT3, STAT1, STAT5A FNTA 2310/4885FNTB 1660/4885ALDH1A1 3674/4885
US-10226439-B2 Small molecule inhibitors of STAT3 with anti-tumor activity STAT3, STAT1, STAT5A FNTA 2310/4885FNTB 1660/4885ALDH1A1 3674/4885
US-10806712-B2 Small molecule inhibitors of STAT3 with anti-tumor activity STAT3, STAT1, STAT5A FNTA 2310/4885FNTB 1660/4885ALDH1A1 3674/4885

“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.