SCHEMBL2856083

SCHEMBL2856083

COc1ccc(C(=O)N(Cc2ccc(C#Cc3ccc(Cl)cc3)cc2)c2ccc(O)c(C(=O)O)c2)cc1

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 10/20 0.71
PDK1 Q15118 5/20 0.51
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
PDK2 Q15119 1/20 0.47
PDK4 Q16654 1/20 0.47
BCL2A1 Q16548 2/20 0.47
PTPN11 Q06124 1/20 0.46
PTPRO Q16827 1/20 0.46

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
SCHEMBL13711702 0.91 STAT3 (0.75) STAT3PDK1NPC1RAB9APDK2
Meglumine SCHEMBL4452475 0.88 STAT3 (0.57) STAT3PDK1NPC1RAB9APDK2
SCHEMBL2853433 0.84 STAT3 (0.75) STAT3PDK2PDK4PTPN11PTPRO
SCHEMBL2855112 0.84 STAT3 (0.57) STAT3PDK2PDK4PTPN11PTPRO
SCHEMBL17077004 0.83 STAT3 (1.00) STAT3PDK1PDK2PDK4
SCHEMBL17076997 0.83 STAT3 (0.81) STAT3PDK1NPC1RAB9A
SCHEMBL2853410 0.81 STAT3 (0.60) STAT3PDK1PDK2PDK4PTPN11
SCHEMBL1735936 0.78 STAT3 (0.80) STAT3PTPN11PTPRO
SCHEMBL15668381 0.78 STAT3 (0.82) STAT3PDK1NPC1RAB9APDK2
SCHEMBL2855206 0.78 STAT3 (0.54) STAT3PDK1PDK2PDK4PTPN11

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 11 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-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 2684/4885PDK1 146/4885NPC1 789/4885

“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.