SCHEMBL1734725

SCHEMBL1734725

CCCCCCN(Cc1ccc(C#Cc2ccc(CCCC)cc2)cc1)C(=O)c1ccc(O)c(C(=O)O)c1

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.71
PTPRO Q16827 1/20 0.71
STAT3 P40763 3/20 0.56
KAT8 Q9H7Z6 2/20 0.53
CNR2 P34972 1/20 0.47
LTB4R2 Q9NPC1 1/20 0.47
PPARA Q07869 1/20 0.45
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
RARB P10826 1/20 0.44

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
SCHEMBL1734580 0.95 PTPN11 (0.69) PTPN11PTPROSTAT3KAT8CNR2
SCHEMBL12656084 0.91 STAT3 (0.59) PTPN11PTPROSTAT3KAT8LTB4R2
SCHEMBL1734858 0.89 PTPN11 (0.60) PTPN11PTPROSTAT3KAT8LTB4R2
SCHEMBL1734777 0.89 PTPN11 (0.59) PTPN11PTPROSTAT3CNR2LTB4R2
SCHEMBL1810218 0.87 PTPN11 (0.61) PTPN11PTPROSTAT3KAT8CNR2
SCHEMBL1814985 0.87 PTPN11 (0.59) PTPN11PTPROSTAT3KAT8CNR2
Meglumine SCHEMBL1813992 0.87 PTPN11 (0.55) PTPN11PTPROSTAT3KAT8CNR2
SCHEMBL12655695 0.85 KAT8 (0.60) PTPN11PTPROSTAT3KAT8LTB4R2
SCHEMBL1735936 0.84 STAT3 (0.80) PTPN11PTPROSTAT3KAT8PPARA
SCHEMBL1814317 0.84 PTPN11 (0.57) PTPN11PTPROSTAT3CNR2LTB4R2

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 22 patents — showing the first 20. 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
US-7947851-B2 1,1′-(1,2-ethynediyl)bis-benzene derivatives as PTP 1-B inhibitors MERCK SERONO SA (CH) 2011-05-24 US claimed
US-20090029903-A1 1,1'-(1,2-Ethynediyl)Bis-Benzene Derivatives As Ptp 1-B Inhibitors MERCK SERONO SA (CH) 2009-01-29 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
EP-1756081-A1 1,1'-(1,2-ETHYNEDIYL)BIS-BENZENE DERIVATIVES AS PTP 1-B INHIBITORS Applied Research Systems ARS Holding N.V. (AN) 2007-02-28 EP 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
WO-2005097773-A1 1,1’-(1,2-ETHYNEDIYL)BIS-BENZENE DERIVATIVES AS PTP 1-B INHIBITORS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2005-10-20 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
CN-1997638-B 1,1' - (1, 2-acetylenediyl) bis-benzene derivatives as PTP1-B inhibitors APPLIED RESEARCH SYSTEMS 2011-07-06 CN disclosed
US-7947851-B2 1,1′-(1,2-ethynediyl)bis-benzene derivatives as PTP 1-B inhibitors MERCK SERONO SA (CH) 2011-05-24 US disclosed
US-7947851-B2 1,1′-(1,2-ethynediyl)bis-benzene derivatives as PTP 1-B inhibitors MERCK SERONO SA (CH) 2011-05-24 US disclosed
US-7947851-B2 1,1′-(1,2-ethynediyl)bis-benzene derivatives as PTP 1-B inhibitors MERCK SERONO SA (CH) 2011-05-24 US disclosed
US-20090029903-A1 1,1'-(1,2-Ethynediyl)Bis-Benzene Derivatives As Ptp 1-B Inhibitors MERCK SERONO SA (CH) 2009-01-29 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
CN-1997638-A 1, 1' - (1, 2-acetylenediyl) bis-benzene derivatives as PTP 1-B inhibitors APPLIED RESEARCH SYSTEMS (AN) 2007-07-11 CN disclosed
EP-1756081-A1 1,1'-(1,2-ETHYNEDIYL)BIS-BENZENE DERIVATIVES AS PTP 1-B INHIBITORS Applied Research Systems ARS Holding N.V. (AN) 2007-02-28 EP 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
WO-2005097773-A1 1,1’-(1,2-ETHYNEDIYL)BIS-BENZENE DERIVATIVES AS PTP 1-B INHIBITORS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2005-10-20 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-20090029903-A1 1,1'-(1,2-Ethynediyl)Bis-Benzene Derivatives As Ptp 1-B Inhibitors PTPRS, PTPRZ1, PTP4A1 PTPN11 38/4885PTPRO 4/4885STAT3 2714/4885
US-20080207722-A1 Glepp-1 Inhibitors in the Treatment of Autoimmune and/or Inflammatory Disorders PPP1R1B, PPP5C, PPP3CA PTPN11 458/4885PTPRO 86/4885STAT3 2129/4885

“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.