SCHEMBL2853049

SCHEMBL2853049

CCCCCCCCC#Cc1ccc(CN(C(=O)/C=C/c2cccc(C(F)(F)F)c2)c2ccc3c(c2)C(=O)OC(C)(C)O3)cc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 5/20 0.39
LTB4R2 Q9NPC1 2/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
TRPM8 Q7Z2W7 3/20 0.33
FFAR1 O14842 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
HDAC1 Q13547 2/20 0.31
HDAC6 Q9UBN7 2/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31
NPY2R P49146 1/20 0.31

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
SCHEMBL2858891 1.00 NR1H4 (0.39) NR1H4LTB4R2MAOAMAOBTRPM8
SCHEMBL2857124 0.90 TRPM8 (0.41) NR1H4TRPM8FFAR1FFAR4
SCHEMBL2857127 0.90 TRPM8 (0.41) NR1H4TRPM8FFAR1FFAR4
SCHEMBL13711763 0.90 NR1H4 (0.42) NR1H4LTB4R2MAOAMAOBTRPM8
SCHEMBL2851207 0.82 PTPN11 (0.48) NR1H4LTB4R2MAOAMAOBTRPM8
SCHEMBL2851206 0.82 PTPN11 (0.48) NR1H4LTB4R2MAOAMAOBTRPM8
SCHEMBL2859940 0.82 FFAR1 (0.41) LTB4R2FFAR1FFAR4
SCHEMBL13711784 0.79 TRPM8 (0.45) TRPM8
SCHEMBL2858132 0.77 STAT3 (0.39) LTB4R2FFAR1FFAR4
SCHEMBL2855196 0.76 LTB4R2 (0.40) LTB4R2FFAR1FFAR4

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 5 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
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 NR1H4 443/4885LTB4R2 827/4885MAOA 1821/4885

“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.