SCHEMBL2859955

SCHEMBL2859955

CCCCc1ccc(C#Cc2ccc(CN(C(C)=O)c3ccc4c(c3)OC(C)(C)OC4=O)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.43
PTPRO Q16827 1/20 0.43
STAT3 P40763 4/20 0.38
POLB P06746 1/20 0.36
LTB4R2 Q9NPC1 6/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
TSPO P30536 1/20 0.33
ACACB O00763 2/20 0.33

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
SCHEMBL13711748 0.92 STAT3 (0.40) STAT3POLBLTB4R2
SCHEMBL2861548 0.90 PTPN11 (0.41) PTPN11PTPROSTAT3LTB4R2
SCHEMBL2851643 0.90 PTPN11 (0.40) PTPN11PTPROSTAT3POLBLTB4R2
SCHEMBL2856906 0.89 PTPN11 (0.39) PTPN11PTPROSTAT3POLBLTB4R2
SCHEMBL2852877 0.86 CNR2 (0.42) PTPN11PTPRO
SCHEMBL2855107 0.84 PTPN11 (0.36) PTPN11PTPROPOLBLTB4R2
SCHEMBL13513494 0.84 PTPN11 (0.37) PTPN11PTPROSTAT3POLBMMP2
SCHEMBL13711707 0.84 PTPN11 (0.39) PTPN11PTPROSTAT3POLBLTB4R2
SCHEMBL1811360 0.83 PTPN11 (0.56) PTPN11PTPROPOLB
SCHEMBL2848860 0.83 PTPN11 (0.41) PTPN11PTPROSTAT3LTB4R2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1654247-B1 ALKYNYL ARYL CARBOXAMIDES MERCK SERONO SA (CH) 2010-01-20 EP disclosed
EP-1654247-B1 ALKYNYL ARYL CARBOXAMIDES MERCK SERONO SA (CH) 2010-01-20 EP disclosed
US-7589232-B2 Alkynyl aryl carboxamides LABORATORIES SERONO S.A. (CH) 2009-09-15 US disclosed
US-7589232-B2 Alkynyl aryl carboxamides LABORATORIES SERONO S.A. (CH) 2009-09-15 US disclosed
US-20070105913-A1 Alkynyl aryl carboxamides APPLIED RESEARCH SYSTEMS ARS HOLDINGS N.V. (NL) 2007-05-10 US disclosed
US-20070105913-A1 Alkynyl aryl carboxamides APPLIED RESEARCH SYSTEMS ARS HOLDINGS N.V. (NL) 2007-05-10 US 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-20070105913-A1 Alkynyl aryl carboxamides ECHS1, IRS1, HCCS PTPN11 97/4885PTPRO 51/4885STAT3 2684/4885

“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.