SCHEMBL1734820

SCHEMBL1734820

CCCCc1ccc(C#Cc2ccc(CN(C(=O)c3cc4ccccc4s3)c3ccc(O)c(C(=O)O)c3)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 9/20 0.60
PTPN11 Q06124 1/20 0.58
PTPRO Q16827 1/20 0.58
PDK1 Q15118 1/20 0.44
NPY2R P49146 2/20 0.44
HDAC3 O15379 4/20 0.43
HDAC1 Q13547 4/20 0.43
HDAC2 Q92769 4/20 0.43
KAT8 Q9H7Z6 2/20 0.40
HNF4A P41235 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
SCHEMBL2857128 0.84 STAT3 (0.68) STAT3PTPN11PTPROPDK1KAT8
SCHEMBL1735945 0.82 STAT3 (0.73) STAT3PTPN11PTPRO
SCHEMBL1735936 0.81 STAT3 (0.80) STAT3PTPN11PTPROKAT8
SCHEMBL2875669 0.80 NPY2R (0.41) STAT3PTPN11PTPROPDK1NPY2R
SCHEMBL2851528 0.79 PTPN11 (0.68) STAT3PTPN11PTPROKAT8HNF4A
SCHEMBL1733830 0.79 PTPN11 (0.71) STAT3PTPN11PTPROKAT8
SCHEMBL13711772 0.78 PTPN11 (0.67) STAT3PTPN11PTPROKAT8HNF4A
SCHEMBL1734765 0.78 STAT3 (0.66) STAT3PTPN11PTPROPDK1KAT8
SCHEMBL1734802 0.78 PTPN11 (0.89) STAT3PTPN11PTPROKAT8HNF4A
SCHEMBL1734595 0.77 PTPN11 (0.66) STAT3PTPN11PTPROKAT8

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
EP-1904048-B1 GLEPP-1 INHIBITORS IN THE TREATMENT OF AUTOIMMUNE AND/OR INFLAMMATORY DISORDERS MERCK SERONO SA (CH) 2011-11-23 EP claimed
EP-1654247-B1 ALKYNYL ARYL CARBOXAMIDES MERCK SERONO SA (CH) 2010-01-20 EP claimed
US-7589232-B2 Alkynyl aryl carboxamides LABORATORIES SERONO S.A. (CH) 2009-09-15 US claimed
US-20080207722-A1 Glepp-1 Inhibitors in the Treatment of Autoimmune and/or Inflammatory Disorders LABORATORIES SERONO SA (CH) 2008-08-28 US claimed
EP-1904048-A1 GLEPP-1 INHIBITORS IN THE TREATMENT OF AUTOIMMUNE AND/OR INFLAMMATORY DISORDERS LABORATOIRES SERONO S.A. (CH) 2008-04-02 EP claimed
US-20070105913-A1 Alkynyl aryl carboxamides APPLIED RESEARCH SYSTEMS ARS HOLDINGS N.V. (NL) 2007-05-10 US claimed
WO-2007009959-A1 GLEPP-1 INHIBITORS IN THE TREATMENT OF AUTOIMMUNE AND/OR INFLAMMATORY DISORDERS LABORATOIRES SERONO S.A. (CH) 2007-01-25 WO claimed
EP-1904048-B1 GLEPP-1 INHIBITORS IN THE TREATMENT OF AUTOIMMUNE AND/OR INFLAMMATORY DISORDERS MERCK SERONO SA (CH) 2011-11-23 EP disclosed
EP-1654247-B1 ALKYNYL ARYL CARBOXAMIDES MERCK SERONO SA (CH) 2010-01-20 EP disclosed
US-7589232-B2 Alkynyl aryl carboxamides LABORATORIES SERONO S.A. (CH) 2009-09-15 US disclosed
US-7589232-B2 Alkynyl aryl carboxamides LABORATORIES SERONO S.A. (CH) 2009-09-15 US disclosed
US-7589232-B2 Alkynyl aryl carboxamides LABORATORIES SERONO S.A. (CH) 2009-09-15 US disclosed
US-20080207722-A1 Glepp-1 Inhibitors in the Treatment of Autoimmune and/or Inflammatory Disorders LABORATORIES SERONO SA (CH) 2008-08-28 US disclosed
EP-1904048-A1 GLEPP-1 INHIBITORS IN THE TREATMENT OF AUTOIMMUNE AND/OR INFLAMMATORY DISORDERS LABORATOIRES SERONO S.A. (CH) 2008-04-02 EP disclosed
US-20070105913-A1 Alkynyl aryl carboxamides APPLIED RESEARCH SYSTEMS ARS HOLDINGS N.V. (NL) 2007-05-10 US disclosed
US-20070105913-A1 Alkynyl aryl carboxamides APPLIED RESEARCH SYSTEMS ARS HOLDINGS N.V. (NL) 2007-05-10 US disclosed
US-20070105913-A1 Alkynyl aryl carboxamides APPLIED RESEARCH SYSTEMS ARS HOLDINGS N.V. (NL) 2007-05-10 US disclosed
WO-2007009959-A1 GLEPP-1 INHIBITORS IN THE TREATMENT OF AUTOIMMUNE AND/OR INFLAMMATORY DISORDERS LABORATOIRES SERONO S.A. (CH) 2007-01-25 WO disclosed
EP-1654247-A1 ALKYNYL ARYL CARBOXAMIDES Applied Research Systems ARS Holding N.V. (AN) 2006-05-10 EP disclosed
WO-2005012280-A1 ALKYNYL ARYL CARBOXAMIDES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2005-02-10 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 (2 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-20080207722-A1 Glepp-1 Inhibitors in the Treatment of Autoimmune and/or Inflammatory Disorders PPP1R1B, PPP5C, PPP3CA STAT3 2129/4885PTPN11 458/4885PTPRO 86/4885
US-20070105913-A1 Alkynyl aryl carboxamides ECHS1, IRS1, HCCS STAT3 2684/4885PTPN11 97/4885PTPRO 51/4885

“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.