SCHEMBL1812005

SCHEMBL1812005

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

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.47
PTPRO Q16827 1/20 0.47
PTGES O14684 1/20 0.42
LTB4R2 Q9NPC1 3/20 0.39
STAT3 P40763 4/20 0.38
QPCT Q16769 6/20 0.38
ACACB O00763 3/20 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
SCHEMBL12655722 0.92 LTB4R2 (0.45) LTB4R2STAT3QPCT
SCHEMBL1814431 0.91 PTPN11 (0.55) PTPN11PTPROPTGESLTB4R2STAT3
SCHEMBL1811147 0.85 PTPN11 (0.56) PTPN11PTPROLTB4R2STAT3ACACB
SCHEMBL1813364 0.85 PTPN11 (0.51) PTPN11PTPROLTB4R2STAT3ACACB
SCHEMBL2861555 0.85 PTPN11 (0.46) PTPN11PTPROLTB4R2STAT3
SCHEMBL1812594 0.85 PTPN11 (0.43) PTPN11PTPROPTGESSTAT3
SCHEMBL1815735 0.83 PTPN11 (0.67) PTPN11PTPROSTAT3
SCHEMBL12626834 0.82 PTPN11 (0.53) PTPN11PTPROLTB4R2STAT3
SCHEMBL1812742 0.82 PTPN11 (0.68) PTPN11PTPROSTAT3
SCHEMBL12656223 0.82 LTB4R2 (0.53) PTPN11PTPROLTB4R2STAT3

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 8 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-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 4/4885PTGES 2061/4885

“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.