SCHEMBL2853002

SCHEMBL2853002

CCCCCCCCC#Cc1ccc(CN(C(=O)c2cccnc2)c2ccc(O)c(C(=O)O)c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 9/20 0.61
PTPN11 Q06124 1/20 0.51
PTPRO Q16827 1/20 0.51
GAA P10253 1/20 0.46
TSHR P16473 1/20 0.46
PDK1 Q15118 3/20 0.41
FFAR1 O14842 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
HTT P42858 1/20 0.40
KAT8 Q9H7Z6 2/20 0.39
MMP2 P08253 1/20 0.39
MMP12 P39900 1/20 0.39
LTB4R2 Q9NPC1 1/20 0.39

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
SCHEMBL2856021 0.90 STAT3 (0.62) STAT3PTPN11PTPROPDK1FFAR1
SCHEMBL13711659 0.87 STAT3 (0.80) STAT3PTPN11PTPROGAATSHR
SCHEMBL17076966 0.87 STAT3 (0.80) STAT3PTPN11PTPROGAATSHR
SCHEMBL2852827 0.84 PTPN11 (0.61) STAT3PTPN11PTPROFFAR1FFAR4
SCHEMBL4669836 0.82 PTPN11 (0.59) STAT3PTPN11PTPROFFAR1FFAR4
SCHEMBL2853016 0.80 TSHR (0.40) STAT3GAATSHRPDK1FFAR1
SCHEMBL2858093 0.79 STAT3 (0.56) STAT3PTPN11PTPROFFAR1FFAR4
SCHEMBL2853844 0.79 STAT3 (0.52) STAT3PTPN11PTPROPDK1FFAR1
SCHEMBL2859844 0.78 STAT3 (0.54) STAT3PTPN11PTPROFFAR1FFAR4
SCHEMBL2859846 0.78 STAT3 (0.54) STAT3PTPN11PTPROFFAR1FFAR4

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

“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.