SCHEMBL1815013

SCHEMBL1815013

CCCCc1ccc(C#Cc2ccc(CN(Cc3cccc4ccccc34)c3ccc4c(c3)C(=O)OC(C)(C)O4)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.39
PTPRO Q16827 1/20 0.39
SLC2A1 P11166 1/20 0.33
PIK3CB P42338 3/20 0.32
PIK3CA P42336 1/20 0.32
POLB P06746 1/20 0.31
MMP2 P08253 1/20 0.30
MMP9 P14780 1/20 0.30
CYP1A2 P05177 1/20 0.30
MAPK1 P28482 1/20 0.30
NR1I2 O75469 1/20 0.30
LMNA P02545 1/20 0.30
ADRA2A P08913 1/20 0.30
CYP2D6 P10635 1/20 0.30
ACHE P22303 1/20 0.30
SLC6A2 P23975 1/20 0.30
HTR2A P28223 1/20 0.30
SLC6A4 P31645 1/20 0.30
KCNH2 Q12809 1/20 0.30
SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL1811444 0.85 PTPN11 (0.52) PTPN11PTPROPOLBMMP2MMP9
SCHEMBL1814922 0.84 PTPN11 (0.42) PTPN11PTPROPOLBMMP2MMP9
SCHEMBL1815761 0.84 PTPN11 (0.56) PTPN11PTPROPOLB
SCHEMBL1814184 0.80 PTPN11 (0.52) PTPN11PTPRO
SCHEMBL2848860 0.78 PTPN11 (0.41) PTPN11PTPRO
SCHEMBL2848867 0.77 STAT3 (0.41) PTPN11PTPROPOLBMMP2MMP9
SCHEMBL12655685 0.77 PTPN11 (0.41) PTPN11PTPROPOLBSIGMAR1
SCHEMBL1811360 0.77 PTPN11 (0.56) PTPN11PTPROPOLB
SCHEMBL2858906 0.76 PTPN11 (0.40) PTPN11PTPROPOLBMMP2MMP9
SCHEMBL1735934 0.76 PTPN11 (0.68) PTPN11PTPROPOLB

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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-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 (1 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 4/4885SLC2A1 125/4885

“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.