SCHEMBL1812957

SCHEMBL1812957

CCCCCCN(Cc1ccc(C#Cc2ccc(C(C)(C)C)cc2)cc1)c1ccc(F)c(C(=O)OC)c1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.55
PTPRO Q16827 1/20 0.55
NR1H2 P55055 8/20 0.38
NR1H3 Q13133 8/20 0.38
PTGES O14684 1/20 0.37
ALOX5 P09917 1/20 0.37
SOAT1 P35610 1/20 0.37
ACACB O00763 2/20 0.36
CNR2 P34972 3/20 0.36
CNR1 P21554 1/20 0.36
HIF1A Q16665 1/20 0.34

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
SCHEMBL12656102 0.92 PTPN11 (0.44) PTPN11PTPRONR1H2NR1H3PTGES
SCHEMBL1812533 0.92 PTPN11 (0.60) PTPN11PTPRONR1H2NR1H3SOAT1
SCHEMBL1814294 0.91 PTPN11 (0.59) PTPN11PTPROSOAT1CNR2
SCHEMBL1812712 0.90 PTPN11 (0.60) PTPN11PTPRONR1H2NR1H3PTGES
SCHEMBL1812742 0.90 PTPN11 (0.68) PTPN11PTPROSOAT1CNR2
SCHEMBL1734783 0.90 PTPN11 (0.66) PTPN11PTPRONR1H2NR1H3PTGES
SCHEMBL1812532 0.90 PTPN11 (0.63) PTPN11PTPROACACBCNR2
SCHEMBL1815735 0.89 PTPN11 (0.67) PTPN11PTPROSOAT1CNR2
SCHEMBL1813977 0.86 PTPN11 (0.55) PTPN11PTPRONR1H2NR1H3PTGES
SCHEMBL1814320 0.85 PTPN11 (0.62) PTPN11PTPROCNR2

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 4/4885NR1H2 1643/4885

“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.