SCHEMBL2857124

SCHEMBL2857124

CCCCCCCCC#Cc1ccc(CN(C(=O)/C=C/c2ccccc2)c2ccc3c(c2)C(=O)OC(C)(C)O3)cc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 7/20 0.41
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
MMP2 P08253 1/20 0.34
MMP12 P39900 1/20 0.34
HPGD P15428 1/20 0.33
SNCA P37840 2/20 0.33
STAT3 P40763 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
TNK2 Q07912 1/20 0.33
PTPN11 Q06124 1/20 0.32
PTPRO Q16827 1/20 0.32

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
SCHEMBL2857127 1.00 TRPM8 (0.41) TRPM8FFAR1FFAR4MMP2MMP12
SCHEMBL2853049 0.90 NR1H4 (0.39) TRPM8FFAR1FFAR4NR1H4
SCHEMBL2858891 0.90 NR1H4 (0.39) TRPM8FFAR1FFAR4NR1H4
SCHEMBL13711784 0.88 TRPM8 (0.45) TRPM8HPGDSTAT3
SCHEMBL2859940 0.86 FFAR1 (0.41) FFAR1FFAR4MMP2MMP12STAT3
SCHEMBL2855196 0.84 LTB4R2 (0.40) FFAR1FFAR4MMP2MMP12HPGD
SCHEMBL2858132 0.81 STAT3 (0.39) FFAR1FFAR4MMP2MMP12STAT3
SCHEMBL2857008 0.80 FFAR1 (0.36) TRPM8FFAR1FFAR4MMP2MMP12
SCHEMBL2859846 0.80 STAT3 (0.54) TRPM8FFAR1FFAR4MMP2MMP12
SCHEMBL2859844 0.80 STAT3 (0.54) TRPM8FFAR1FFAR4MMP2MMP12

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 TRPM8 2910/4885FFAR1 91/4885FFAR4 218/4885

“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.