SCHEMBL1734802

SCHEMBL1734802

CCCCc1ccc(C#Cc2ccc(CN(CCCc3ccccc3)c3ccc(O)c(C(=O)O)c3)cc2)cc1

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.89
PTPRO Q16827 1/20 0.89
STAT3 P40763 6/20 0.57
MCL1 Q07820 2/20 0.53
BCL2L1 Q07817 1/20 0.53
KAT8 Q9H7Z6 2/20 0.48
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
RECQL P46063 1/20 0.46
HNF4A P41235 2/20 0.46
LTB4R2 Q9NPC1 2/20 0.45
EGFR P00533 1/20 0.43
LCK P06239 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL1733827 0.94 PTPN11 (1.00) PTPN11PTPROSTAT3MCL1BCL2L1
Hydrochloric Acid SCHEMBL1815540 0.93 PTPN11 (0.98) PTPN11PTPROSTAT3MCL1BCL2L1
SCHEMBL1734805 0.90 PTPN11 (0.92) PTPN11PTPROSTAT3MCL1BCL2L1
SCHEMBL1733823 0.86 PTPN11 (0.75) PTPN11PTPROSTAT3MCL1BCL2L1
SCHEMBL1734788 0.86 PTPN11 (0.85) PTPN11PTPROSTAT3MCL1BCL2L1
SCHEMBL1735934 0.85 PTPN11 (0.68) PTPN11PTPROSTAT3MCL1BCL2L1
SCHEMBL1813918 0.85 PTPN11 (0.83) PTPN11PTPROSTAT3MCL1BCL2L1
SCHEMBL1733835 0.84 PTPN11 (0.80) PTPN11PTPROSTAT3MCL1BCL2L1
Hydrochloric Acid SCHEMBL1816865 0.84 PTPN11 (0.67) PTPN11PTPROSTAT3MCL1BCL2L1
SCHEMBL12655938 0.84 PTPN11 (0.83) PTPN11PTPROSTAT3MCL1BCL2L1

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 14 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
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-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
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

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.