SCHEMBL2003074

SCHEMBL2003074

O=C(CCc1ccccc1)Nc1ccc(C(=O)O)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.77
HTT P42858 1/20 0.77
GAA P10253 2/20 0.74
LMNA P02545 1/20 0.67
HDAC1 Q13547 4/20 0.66
RAB9A P51151 1/20 0.66
NPY5R Q15761 1/20 0.65
HDAC3 O15379 3/20 0.64
HDAC4 P56524 3/20 0.64
HDAC7 Q8WUI4 3/20 0.64
HDAC2 Q92769 3/20 0.64
HDAC10 Q969S8 3/20 0.64
HDAC11 Q96DB2 3/20 0.64
HDAC8 Q9BY41 3/20 0.64
HDAC6 Q9UBN7 3/20 0.64
HDAC9 Q9UKV0 3/20 0.64
HDAC5 Q9UQL6 3/20 0.64
TSHR P16473 1/20 0.64
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62

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
SCHEMBL7566765 0.93 MAPT (0.77) MAPTHTTGAALMNAHDAC1
SCHEMBL1996813 0.90 TRPV1 (0.75) MAPTHTTGAAHDAC1RAB9A
SCHEMBL10629675 0.89 MAPT (0.61) MAPTHTTGAALMNAHDAC1
SCHEMBL7319492 0.89 HDAC1 (0.77) MAPTHTTGAAHDAC1RAB9A
SCHEMBL3061430 0.88 MAPT (1.00) MAPTHTTGAALMNAHDAC1
Hydrochloric Acid SCHEMBL27689202 0.86 MAPT (0.96) MAPTHTTGAALMNAHDAC1
SCHEMBL673562 0.86 HDAC1 (0.82) MAPTHTTGAALMNAHDAC1
SCHEMBL10953379 0.86 HDAC1 (0.62) MAPTHTTGAAHDAC1RAB9A
SCHEMBL2832427 0.86 MAPT (0.71) MAPTHTTGAALMNAHDAC1
SCHEMBL10954256 0.86 MEN1 (0.59) MAPTHTTGAAHDAC1RAB9A

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 25 patents — showing the first 20. 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
WO-2018223122-A1 HDAC3-SELECTIVE INHIBITORS OHIO STATE INNOVATION FOUNDATION (US) 2018-12-06 WO 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-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
US-20020124329-A1 HAIR COLOURING COMPOSITIONS AND THEIR USE PRATT DOMINIC (GB) 2002-09-12 US disclosed
EP-1003466-A4 HAIR COLOURING COMPOSITIONS AND THEIR USE PROCTER & GAMBLE (US) 2001-01-03 EP disclosed
EP-1003466-A1 HAIR COLOURING COMPOSITIONS AND THEIR USE THE PROCTER & GAMBLE COMPANY (US) 2000-05-31 EP disclosed
WO-1998052523-A1 HAIR COLOURING COMPOSITIONS AND THEIR USE THE PROCTER & GAMBLE COMPANY (US) 1998-11-26 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 MAPT 4441/4885HTT 3741/4885GAA 4022/4885
US-20210121427-A1 SMALL MOLECULE INHIBITORS OF STAT3 WITH ANTI-TUMOR ACTIVITY STAT3, STAT1, STAT5A MAPT 4441/4885HTT 3741/4885GAA 4022/4885
US-20110201576-A1 Small molecule inhibitors of stat3 with anti-tumor activity STAT3, STAT1, STAT5A MAPT 4441/4885HTT 3741/4885GAA 4022/4885
US-20090069420-A1 Small molecule inhibitors of STAT3 with anti-tumor activity STAT3, STAT1, STAT5A MAPT 4441/4885HTT 3741/4885GAA 4022/4885
US-20020124329-A1 HAIR COLOURING COMPOSITIONS AND THEIR USE TYR, DEK, DAO MAPT 3299/4885HTT 3588/4885GAA 3427/4885
US-20190192461-A1 SMALL MOLECULE INHIBITORS OF STAT3 WITH ANTI-TUMOR ACTIVITY STAT3, STAT1, STAT5A MAPT 4441/4885HTT 3741/4885GAA 4022/4885
US-10226439-B2 Small molecule inhibitors of STAT3 with anti-tumor activity STAT3, STAT1, STAT5A MAPT 4441/4885HTT 3741/4885GAA 4022/4885
US-10806712-B2 Small molecule inhibitors of STAT3 with anti-tumor activity STAT3, STAT1, STAT5A MAPT 4441/4885HTT 3741/4885GAA 4022/4885

“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.