SCHEMBL2851207

SCHEMBL2851207

CCCCCCCCC#Cc1ccc(CN(C(=O)C=Cc2cccc(C(F)(F)F)c2)c2ccc(O)c(C(=O)O)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.48
PTPRO Q16827 1/20 0.48
STAT3 P40763 6/20 0.46
NR1H4 Q96RI1 4/20 0.41
LTB4R2 Q9NPC1 2/20 0.39
FFAR1 O14842 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
KAT8 Q9H7Z6 2/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
PDK1 Q15118 1/20 0.34

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
SCHEMBL2851206 1.00 PTPN11 (0.48) PTPN11PTPROSTAT3NR1H4LTB4R2
SCHEMBL2859844 0.90 STAT3 (0.54) PTPN11PTPROSTAT3LTB4R2FFAR1
SCHEMBL2859846 0.90 STAT3 (0.54) PTPN11PTPROSTAT3LTB4R2FFAR1
SCHEMBL13711705 0.89 STAT3 (0.59) PTPN11PTPROSTAT3NR1H4LTB4R2
SCHEMBL2858891 0.82 NR1H4 (0.39) NR1H4LTB4R2FFAR1FFAR4TRPM8
SCHEMBL2853049 0.82 NR1H4 (0.39) NR1H4LTB4R2FFAR1FFAR4TRPM8
SCHEMBL2852827 0.80 PTPN11 (0.61) PTPN11PTPROSTAT3LTB4R2FFAR1
SCHEMBL4669836 0.78 PTPN11 (0.59) PTPN11PTPROSTAT3LTB4R2FFAR1
SCHEMBL2856327 0.78 STAT3 (0.36) PTPN11PTPROSTAT3NR1H4MAOA
SCHEMBL13711760 0.77 STAT3 (0.71) PTPN11PTPROSTAT3KAT8TRPM8

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 6 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-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.