SCHEMBL2851095

SCHEMBL2851095

CCCCCCCCC#Cc1ccc(CNCc2ccc(OCC(=O)O)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.59
FFAR4 Q5NUL3 1/20 0.59
MMP2 P08253 1/20 0.52
MMP12 P39900 1/20 0.52
PLA2G4B P0C869 2/20 0.47
S1PR1 P21453 4/20 0.46
S1PR3 Q99500 4/20 0.46
S1PR2 O95136 3/20 0.46
LPAR2 Q9HBW0 2/20 0.46
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
TSHR P16473 1/20 0.44
TNK2 Q07912 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
EPHX2 P34913 1/20 0.42
NR1H4 Q96RI1 1/20 0.42

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
SCHEMBL13708320 0.90 FFAR1 (0.52) FFAR1FFAR4MMP2MMP12PLA2G4B
SCHEMBL5610765 0.86 FFAR1 (0.52) FFAR1FFAR4MMP2MMP12TSHR
SCHEMBL2858029 0.84 FFAR1 (0.54) FFAR1S1PR1S1PR3S1PR2PPARG
SCHEMBL6716853 0.83 FFAR1 (0.58) FFAR1FFAR4MMP2MMP12S1PR1
Hydrochloric Acid SCHEMBL4469874 0.83 FFAR1 (0.52) FFAR1S1PR1S1PR3S1PR2PPARG
SCHEMBL2859750 0.83 FFAR1 (0.85) FFAR1FFAR4MMP2MMP12S1PR1
SCHEMBL4465853 0.83 FFAR1 (0.53) FFAR1FFAR4MMP2MMP12S1PR1
SCHEMBL2851119 0.83 FFAR1 (0.56) FFAR1FFAR4MMP2MMP12PLA2G4B
SCHEMBL2854941 0.81 FFAR1 (0.57) FFAR1FFAR4MMP2MMP12PLA2G4B
SCHEMBL5598565 0.80 FFAR1 (0.45) FFAR1FFAR4MMP2MMP12PLA2G4B

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 claimed
US-20070105913-A1 Alkynyl aryl carboxamides APPLIED RESEARCH SYSTEMS ARS HOLDINGS N.V. (NL) 2007-05-10 US claimed
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-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 218/4885MMP2 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.