SCHEMBL2232937

SCHEMBL2232937

FC(F)(F)Oc1cccc(C#CCCCc2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.56
GRM5 P41594 2/20 0.43
CETP P11597 5/20 0.39
DRD4 P21917 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
MAPK14 Q16539 1/20 0.39
DAO P14920 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.37

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
SCHEMBL12348386 0.85 FFAR1 (0.44) FFAR1GRM5DRD4MRGPRX4
SCHEMBL3872159 0.82 FFAR1 (0.50) FFAR1GRM5CETP
SCHEMBL2236377 0.80 FFAR1 (0.53) FFAR1GRM5
SCHEMBL5500905 0.79 GRM5 (0.50) FFAR1GRM5CETPCHRM2CHRM1
SCHEMBL13087772 0.77 GRM5 (0.48) FFAR1GRM5
SCHEMBL3877946 0.77 FFAR1 (0.55) FFAR1CETPMAPK14MRGPRX4
SCHEMBL3874608 0.77 FFAR1 (0.67) FFAR1GRM5MRGPRX4
SCHEMBL12040546 0.77 PPARG (0.52) FFAR1CETPDRD4CHRM2CHRM1
SCHEMBL29187194 0.76 GRM5 (0.54) FFAR1GRM5
SCHEMBL18834037 0.76 GRM5 (0.52) FFAR1GRM5CETPCHRM2CHRM1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8487109-B2 Process for the palladium-catalyzed coupling of terminal alkynes with aryl tosylates SANOFI (FR) 2013-07-16 US claimed
EP-2176203-B1 A PROCESS FOR THE PALLADIUM-CATALYZED COUPLING OF TERMINAL ALKYNES WITH ARYL TOSYLATES SANOFI SA (FR) 2011-08-10 EP claimed
US-20100261910-A1 Process for the palladium-catalyzed coupling of terminal alkynes with aryl tosylates SANOFI-AVENTIS (FR) 2010-10-14 US claimed
JP-2010531821-A 2010-09-30 JP claimed
EP-2176203-A1 A PROCESS FOR THE PALLADIUM-CATALYZED COUPLING OF TERMINAL ALKYNES WITH ARYL TOSYLATES Sanofi-Aventis (FR) 2010-04-21 EP claimed
WO-2009003589-A1 A PROCESS FOR THE PALLADIUM-CATALYZED COUPLING OF TERMINAL ALKYNES WITH ARYL TOSYLATES SANOFI-AVENTIS (FR) 2009-01-08 WO claimed
US-8487109-B2 Process for the palladium-catalyzed coupling of terminal alkynes with aryl tosylates SANOFI (FR) 2013-07-16 US disclosed
EP-2176203-B1 A PROCESS FOR THE PALLADIUM-CATALYZED COUPLING OF TERMINAL ALKYNES WITH ARYL TOSYLATES SANOFI SA (FR) 2011-08-10 EP disclosed
US-20100261910-A1 Process for the palladium-catalyzed coupling of terminal alkynes with aryl tosylates SANOFI-AVENTIS (FR) 2010-10-14 US disclosed
EP-2176203-A1 A PROCESS FOR THE PALLADIUM-CATALYZED COUPLING OF TERMINAL ALKYNES WITH ARYL TOSYLATES Sanofi-Aventis (FR) 2010-04-21 EP disclosed
WO-2009003589-A1 A PROCESS FOR THE PALLADIUM-CATALYZED COUPLING OF TERMINAL ALKYNES WITH ARYL TOSYLATES SANOFI-AVENTIS (FR) 2009-01-08 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-20100261910-A1 Process for the palladium-catalyzed coupling of terminal alkynes with aryl tosylates TYR, ALK, TYRO3 FFAR1 2004/4885GRM5 3982/4885CETP 4528/4885

“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.