SCHEMBL2859844

SCHEMBL2859844

CCCCCCCCC#Cc1ccc(CN(C(=O)/C=C/c2ccccc2)c2ccc(O)c(C(=O)O)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 9/20 0.54
PTPN11 Q06124 1/20 0.52
PTPRO Q16827 1/20 0.52
TRPM8 Q7Z2W7 2/20 0.45
FFAR1 O14842 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
KAT8 Q9H7Z6 2/20 0.41
LTB4R2 Q9NPC1 1/20 0.38
MMP2 P08253 1/20 0.38
MMP12 P39900 1/20 0.38

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
SCHEMBL2859846 1.00 STAT3 (0.54) STAT3PTPN11PTPROTRPM8FFAR1
SCHEMBL2851206 0.90 PTPN11 (0.48) STAT3PTPN11PTPROTRPM8FFAR1
SCHEMBL2851207 0.90 PTPN11 (0.48) STAT3PTPN11PTPROTRPM8FFAR1
SCHEMBL13711760 0.87 STAT3 (0.71) STAT3PTPN11PTPROTRPM8KAT8
SCHEMBL2852827 0.86 PTPN11 (0.61) STAT3PTPN11PTPROFFAR1FFAR4
SCHEMBL4669836 0.84 PTPN11 (0.59) STAT3PTPN11PTPROFFAR1FFAR4
SCHEMBL2858093 0.82 STAT3 (0.56) STAT3PTPN11PTPROFFAR1FFAR4
SCHEMBL14208432 0.81 TRPM8 (0.67) STAT3TRPM8
SCHEMBL2857127 0.80 TRPM8 (0.41) STAT3PTPN11PTPROTRPM8FFAR1
SCHEMBL2857124 0.80 TRPM8 (0.41) STAT3PTPN11PTPROTRPM8FFAR1

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 10 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
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.