SCHEMBL1733825

SCHEMBL1733825

CCCCc1ccc(C#Cc2ccc(CN(CC3CCCC3)c3ccc(F)c(C(=O)O)c3)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.58
PTPRO Q16827 1/20 0.58
LTC4S Q16873 2/20 0.41
RARB P10826 2/20 0.39
RARA P10276 1/20 0.39
RARG P13631 1/20 0.39
STAT3 P40763 4/20 0.38
MGLL Q99685 2/20 0.37
LTB4R2 Q9NPC1 2/20 0.37
CNR2 P34972 1/20 0.37
EIF4A1 P60842 2/20 0.35
FAAH O00519 1/20 0.35
LPAR1 Q92633 1/20 0.35
LPAR5 Q9H1C0 1/20 0.35

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
SCHEMBL1734799 0.96 PTPN11 (0.60) PTPN11PTPROLTC4SRARBRARA
SCHEMBL1812987 0.90 PTPN11 (0.49) PTPN11PTPROLTC4SMGLLCNR2
SCHEMBL12655967 0.88 RARB (0.50) PTPN11PTPROLTC4SRARBRARA
SCHEMBL1733838 0.86 PTPN11 (0.67) PTPN11PTPRORARBRARARARG
SCHEMBL1813365 0.86 PTPN11 (0.51) PTPN11PTPROLTC4SMGLLFAAH
SCHEMBL1733843 0.85 PTPN11 (0.57) PTPN11PTPROLTC4SRARBRARA
SCHEMBL1734720 0.85 PTPN11 (0.50) PTPN11PTPROSTAT3LTB4R2
SCHEMBL1733835 0.84 PTPN11 (0.80) PTPN11PTPRORARBRARARARG
Meglumine SCHEMBL1816154 0.84 PTPN11 (0.48) PTPN11PTPROLTC4SRARBRARA
SCHEMBL1734581 0.84 PTPN11 (0.81) PTPN11PTPRORARBRARARARG

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 18 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
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
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
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-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-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
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 4/4885LTC4S 1691/4885
US-20080207722-A1 Glepp-1 Inhibitors in the Treatment of Autoimmune and/or Inflammatory Disorders PPP1R1B, PPP5C, PPP3CA PTPN11 458/4885PTPRO 86/4885LTC4S 378/4885

“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.