SCHEMBL1817465

SCHEMBL1817465

COC(=O)c1cc(N(Cc2ccc(C#Cc3ccc(OC)cc3)cc2)CC2CCCC2)ccc1O

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTC4S Q16873 3/20 0.45
PTPN11 Q06124 2/20 0.43
PTPRO Q16827 1/20 0.43
PTGES O14684 3/20 0.40
TAS2R14 Q9NYV8 1/20 0.40
ACACB O00763 3/20 0.40
GRM3 Q14832 3/20 0.38
GAA P10253 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
STAT3 P40763 1/20 0.36
CACNA1B Q00975 1/20 0.36

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
SCHEMBL1812736 0.92 PTPN11 (0.43) LTC4SPTPN11PTPROPTGESTAS2R14
SCHEMBL1812310 0.92 PTPN11 (0.52) LTC4SPTPN11PTPROPTGESTAS2R14
SCHEMBL12656078 0.83 STAT3 (0.50) LTC4SPTPN11PTPROPTGESTAS2R14
SCHEMBL1812987 0.79 PTPN11 (0.49) LTC4SPTPN11PTPROACACB
SCHEMBL1813365 0.75 PTPN11 (0.51) LTC4SPTPN11PTPROACACBALDH1A1
SCHEMBL7914505 0.73 PTPN11 (0.65) PTPN11ACACBALDH1A1
SCHEMBL1814752 0.73 LTC4S (0.37) LTC4SPTGESTAS2R14GRM3GAA
SCHEMBL1816693 0.72 PTPN11 (0.74) PTPN11PTPROSTAT3
SCHEMBL1812993 0.72 PTPN11 (0.80) PTPN11PTPROSTAT3
SCHEMBL1811727 0.72 PTPN11 (0.80) PTPN11PTPROGAATDP1ALDH1A1

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 LTC4S 1691/4885PTPN11 38/4885PTPRO 4/4885

“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.