SCHEMBL2850989

SCHEMBL2850989

CCCCc1ccc(C#Cc2ccc(CN(C(=O)c3ccc4c(c3)CCO4)c3ccc4c(c3)C(=O)OC(C)(C)O4)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 3/20 0.37
ACACB O00763 3/20 0.37
PTPN11 Q06124 1/20 0.35
PTPRO Q16827 1/20 0.35
MAPK14 Q16539 2/20 0.34
TAS1R3 Q7RTX0 2/20 0.34
TAS1R1 Q7RTX1 2/20 0.34
POLB P06746 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.34
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CXCR3 P49682 1/20 0.33

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
SCHEMBL2856363 0.89 ALDH1A1 (0.46) STAT3ALDH1A1MAPTMEN1KMT2A
SCHEMBL2873237 0.88 STAT3 (0.49) STAT3PTPN11PTPRO
SCHEMBL2848867 0.86 STAT3 (0.41) STAT3PTPN11PTPROMAPK14POLB
SCHEMBL2855274 0.85 STAT3 (0.45) STAT3PTPN11PTPRO
SCHEMBL2868984 0.85 PTGES (0.48) STAT3PTPN11PTPROPOLBMAPT
SCHEMBL2861072 0.83 STAT3 (0.47) STAT3PTPN11PTPRO
SCHEMBL2853037 0.82 STAT3 (0.57) STAT3ACACBPTPN11PTPROMAPK14
SCHEMBL2848860 0.81 PTPN11 (0.41) STAT3PTPN11PTPROPTGDR2
SCHEMBL2858906 0.81 PTPN11 (0.40) STAT3PTPN11PTPROPOLBPTGDR2
SCHEMBL13711707 0.80 PTPN11 (0.39) STAT3ACACBPTPN11PTPROPOLB

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 8 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 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

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 2684/4885ACACB 105/4885PTPN11 97/4885

“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.