SCHEMBL2853433

SCHEMBL2853433

CCCCCCCc1ccc(C(=O)N(Cc2ccc(C#Cc3ccc(Cl)cc3)cc2)c2ccc(O)c(C(=O)O)c2)cc1

nearest known ligand 0.75

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 14/20 0.75
PTPN11 Q06124 1/20 0.64
PTPRO Q16827 1/20 0.64
KAT8 Q9H7Z6 2/20 0.50
PDK2 Q15119 1/20 0.45
PDK4 Q16654 1/20 0.45
PPARA Q07869 1/20 0.43
PTGES O14684 1/20 0.42
ALOX5 P09917 1/20 0.42

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
SCHEMBL1735936 0.94 STAT3 (0.80) STAT3PTPN11PTPROKAT8PPARA
SCHEMBL1735945 0.86 STAT3 (0.73) STAT3PTPN11PTPROPTGESALOX5
SCHEMBL15668575 0.86 STAT3 (1.00) STAT3PTPN11PTPROKAT8PPARA
SCHEMBL1734765 0.86 STAT3 (0.66) STAT3PTPN11PTPROKAT8PDK2
SCHEMBL2856083 0.84 STAT3 (0.71) STAT3PTPN11PTPROPDK2PDK4
SCHEMBL2857128 0.83 STAT3 (0.68) STAT3PTPN11PTPROKAT8PDK2
SCHEMBL17076996 0.83 STAT3 (0.83) STAT3PTPN11PTPROKAT8PPARA
SCHEMBL13711660 0.83 STAT3 (0.83) STAT3PTPN11PTPROKAT8PPARA
SCHEMBL1814985 0.82 PTPN11 (0.59) STAT3PTPN11PTPROKAT8PPARA
SCHEMBL17076983 0.82 STAT3 (1.00) STAT3PTPN11PTPROKAT8PPARA

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 13 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
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-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
US-20070105913-A1 Alkynyl aryl carboxamides APPLIED RESEARCH SYSTEMS ARS HOLDINGS N.V. (NL) 2007-05-10 US disclosed
EP-1654247-A1 ALKYNYL ARYL CARBOXAMIDES Applied Research Systems ARS Holding N.V. (AN) 2006-05-10 EP disclosed
WO-2005012280-A1 ALKYNYL ARYL CARBOXAMIDES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2005-02-10 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-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.