SCHEMBL2855112

SCHEMBL2855112

CC(=O)N(Cc1ccc(C#Cc2ccc(Cl)cc2)cc1)c1ccc(O)c(C(=O)O)c1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 13/20 0.57
PTPN11 Q06124 1/20 0.53
PTPRO Q16827 1/20 0.53
HNF4A P41235 1/20 0.46
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
PDK2 Q15119 1/20 0.43
PDK4 Q16654 1/20 0.43
LTB4R2 Q9NPC1 1/20 0.42
MEN1 O00255 1/20 0.41
RECQL P46063 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL13711792 0.89 STAT3 (0.67) STAT3CA1CA2LTB4R2
Meglumine SCHEMBL2853649 0.85 STAT3 (0.45) STAT3PTPN11PTPROHNF4ALTB4R2
SCHEMBL2855309 0.84 CNR2 (0.55) STAT3PTPN11PTPRO
SCHEMBL2857060 0.84 STAT3 (0.57) STAT3PTPN11PTPROHNF4ALTB4R2
SCHEMBL2856083 0.84 STAT3 (0.71) STAT3PTPN11PTPROPDK2PDK4
SCHEMBL2855206 0.82 STAT3 (0.54) STAT3PTPN11PTPROHNF4ACA1
SCHEMBL2853410 0.82 STAT3 (0.60) STAT3PTPN11PTPROHNF4APDK2
SCHEMBL2853433 0.81 STAT3 (0.75) STAT3PTPN11PTPROPDK2PDK4
SCHEMBL2852841 0.81 STAT3 (0.52) STAT3PTPN11PTPROHNF4AMEN1
SCHEMBL2851611 0.81 STAT3 (0.49) STAT3PTPN11PTPROLTB4R2

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.