SCHEMBL2855196

SCHEMBL2855196

CCCCCCCCC#Cc1ccc(CN(C(=O)COc2ccccc2)c2ccc3c(c2)C(=O)OC(C)(C)O3)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 8/20 0.40
FFAR1 O14842 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
STAT3 P40763 1/20 0.35
MMP2 P08253 1/20 0.35
MMP12 P39900 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 2/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
MEN1 O00255 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
SCHEMBL13711723 0.89 STAT3 (0.45) LTB4R2STAT3SMN1; SMN2KDM4EALDH1A1
SCHEMBL2859940 0.87 FFAR1 (0.41) LTB4R2FFAR1FFAR4STAT3MMP2
SCHEMBL2857124 0.84 TRPM8 (0.41) FFAR1FFAR4STAT3MMP2MMP12
SCHEMBL2857127 0.84 TRPM8 (0.41) FFAR1FFAR4STAT3MMP2MMP12
SCHEMBL2857008 0.84 FFAR1 (0.36) LTB4R2FFAR1FFAR4STAT3MMP2
SCHEMBL2855293 0.83 FFAR1 (0.37) LTB4R2FFAR1FFAR4MMP2MMP12
SCHEMBL2858132 0.82 STAT3 (0.39) LTB4R2FFAR1FFAR4STAT3MMP2
SCHEMBL2857108 0.81 PTPN11 (0.38) LTB4R2STAT3MMP2
SCHEMBL2853016 0.80 TSHR (0.40) FFAR1FFAR4STAT3MMP2MMP12
SCHEMBL2858093 0.80 STAT3 (0.56) LTB4R2FFAR1FFAR4STAT3

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 LTB4R2 827/4885FFAR1 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.