SCHEMBL2855293

SCHEMBL2855293

CCCCCCCCC#Cc1ccc(CN(C(=O)CCC2CCCC2)c2ccc3c(c2)C(=O)OC(C)(C)O3)cc1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
LTB4R2 Q9NPC1 13/20 0.34
PTGDR2 Q9Y5Y4 2/20 0.34
MMP2 P08253 1/20 0.33
MMP12 P39900 1/20 0.33
TNK2 Q07912 1/20 0.33
NMT2 O60551 1/20 0.32
NMT1 P30419 1/20 0.32
CYP2C8 P10632 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 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
SCHEMBL2858908 0.90 PTPN11 (0.36) LTB4R2PTGDR2CYP2C8CYP2C9CYP2C19
SCHEMBL13711728 0.89 STAT3 (0.39) LTB4R2PTGDR2
SCHEMBL2857129 0.86 CNR2 (0.36) LTB4R2
SCHEMBL2859940 0.85 FFAR1 (0.41) FFAR1FFAR4LTB4R2MMP2MMP12
SCHEMBL2855299 0.85 SLC6A4 (0.38) FFAR1FFAR4LTB4R2
SCHEMBL2855107 0.84 PTPN11 (0.36) LTB4R2PTGDR2
SCHEMBL2859740 0.83 HTR5A (0.35) FFAR1FFAR4LTB4R2PTGDR2CYP2C8
SCHEMBL4457062 0.83 SLC6A4 (0.35) LTB4R2PTGDR2
SCHEMBL2855196 0.83 LTB4R2 (0.40) FFAR1FFAR4LTB4R2MMP2MMP12
SCHEMBL2868663 0.82 LTB4R2 (0.34) FFAR1FFAR4LTB4R2PTGDR2

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 7 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
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 FFAR1 91/4885FFAR4 218/4885LTB4R2 827/4885

“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.