SCHEMBL2857008

SCHEMBL2857008

CCCCCCCCC#Cc1ccc(CN(C(=O)Cc2cccs2)c2ccc3c(c2)C(=O)OC(C)(C)O3)cc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
MMP2 P08253 1/20 0.34
MMP12 P39900 1/20 0.34
PTGDR2 Q9Y5Y4 2/20 0.33
LMNA P02545 4/20 0.33
TRPM8 Q7Z2W7 3/20 0.33
TDP1 Q9NUW8 1/20 0.33
TP53 P04637 4/20 0.32
LTB4R2 Q9NPC1 2/20 0.32
ACAT1 P24752 1/20 0.32
STAT3 P40763 1/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TNK2 Q07912 1/20 0.31
PTPN11 Q06124 1/20 0.31
PTPRO Q16827 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
SCHEMBL13711666 0.88 STAT3 (0.41) PTGDR2LMNATRPM8TDP1TP53
SCHEMBL2859940 0.86 FFAR1 (0.41) FFAR1FFAR4MMP2MMP12LTB4R2
SCHEMBL2859223 0.86 LMNA (0.43) LMNATRPM8TDP1TP53SMN1; SMN2
SCHEMBL2858132 0.85 STAT3 (0.39) FFAR1FFAR4MMP2MMP12LTB4R2
SCHEMBL2855196 0.84 LTB4R2 (0.40) FFAR1FFAR4MMP2MMP12LTB4R2
SCHEMBL2855293 0.82 FFAR1 (0.37) FFAR1FFAR4MMP2MMP12PTGDR2
SCHEMBL2853016 0.81 TSHR (0.40) FFAR1FFAR4MMP2MMP12PTGDR2
SCHEMBL2853844 0.80 STAT3 (0.52) FFAR1FFAR4MMP2MMP12LTB4R2
SCHEMBL2857127 0.80 TRPM8 (0.41) FFAR1FFAR4MMP2MMP12TRPM8
SCHEMBL2857124 0.80 TRPM8 (0.41) FFAR1FFAR4MMP2MMP12TRPM8

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 FFAR1 91/4885FFAR4 218/4885MMP2 2103/4885

“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.