SCHEMBL1814822

SCHEMBL1814822

CCCCCCc1ccc(C#Cc2ccc(N(Cc3ccc4c(c3)OC(C)(C)OC4=O)C(=O)CC(C)(C)C)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.38
PTPRO Q16827 1/20 0.38
ACAT1 P24752 1/20 0.36
STAT3 P40763 5/20 0.35
LTB4R2 Q9NPC1 4/20 0.34
CTSD P07339 1/20 0.32
CTSE P14091 1/20 0.32
MMP2 P08253 2/20 0.32
MMP9 P14780 2/20 0.32
MMP8 P22894 2/20 0.32
MMP13 P45452 2/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
FFAR1 O14842 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
POLB P06746 1/20 0.31
NPC1 O15118 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL12656003 0.93 STAT3 (0.39) ACAT1STAT3LTB4R2
SCHEMBL2856906 0.92 PTPN11 (0.39) PTPN11PTPROACAT1STAT3LTB4R2
SCHEMBL2862192 0.87 PTPN11 (0.39) PTPN11PTPROACAT1STAT3LTB4R2
SCHEMBL13711703 0.84 LTB4R2 (0.39) STAT3LTB4R2
SCHEMBL2861548 0.83 PTPN11 (0.41) PTPN11PTPROSTAT3LTB4R2PTGDR2
SCHEMBL2851643 0.81 PTPN11 (0.40) PTPN11PTPROACAT1STAT3LTB4R2
SCHEMBL2859955 0.80 PTPN11 (0.43) PTPN11PTPROSTAT3LTB4R2MMP2
SCHEMBL2848860 0.78 PTPN11 (0.41) PTPN11PTPROSTAT3LTB4R2PTGDR2
SCHEMBL2855107 0.78 PTPN11 (0.36) PTPN11PTPROLTB4R2CTSDCTSE
SCHEMBL2873237 0.77 STAT3 (0.49) PTPN11PTPROSTAT3

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
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-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
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
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 4/4885ACAT1 290/4885

“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.