SCHEMBL2853497

SCHEMBL2853497

CCCCc1ccc(C#Cc2ccc(CN(C(C)=O)c3ccc(C(=O)O)c(O)c3)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.61
PTPRO Q16827 1/20 0.61
STAT3 P40763 8/20 0.53
PPARA Q07869 1/20 0.51
MCL1 Q07820 2/20 0.44
BCL2L1 Q07817 1/20 0.44
KAT8 Q9H7Z6 2/20 0.43
MPL P40238 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
LTB4R2 Q9NPC1 1/20 0.41
AKR1C2 P52895 1/20 0.41
AKR1C1 Q04828 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
SCHEMBL13711796 0.90 STAT3 (0.55) PTPN11PTPROSTAT3PPARAMCL1
SCHEMBL2853494 0.90 PTPN11 (0.57) PTPN11PTPROSTAT3PPARAMCL1
SCHEMBL1733837 0.90 PTPN11 (0.60) PTPN11PTPROSTAT3PPARALTB4R2
SCHEMBL2858911 0.88 PTPN11 (0.55) PTPN11PTPROSTAT3PPARAMCL1
SCHEMBL1736063 0.85 PTPN11 (0.53) PTPN11PTPROSTAT3
SCHEMBL1734788 0.84 PTPN11 (0.85) PTPN11PTPROSTAT3PPARAMCL1
SCHEMBL1733846 0.83 PTPN11 (0.51) PTPN11PTPROSTAT3
SCHEMBL4670215 0.83 PTPN11 (0.51) PTPN11PTPROSTAT3
SCHEMBL13711772 0.83 PTPN11 (0.67) PTPN11PTPROSTAT3PPARAMCL1
SCHEMBL1733830 0.81 PTPN11 (0.71) PTPN11PTPROSTAT3MCL1KAT8

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 9 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

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 PTPN11 97/4885PTPRO 51/4885STAT3 2684/4885

“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.