SCHEMBL5481917

SCHEMBL5481917

CS(=O)(=O)OCCCC#Cc1cccc(OC(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.44
GRM5 P41594 1/20 0.42
NR3C1 P04150 1/20 0.36
ADORA2B P29275 3/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
CHRM2 P08172 2/20 0.34
CHRM1 P11229 2/20 0.34
CHRM3 P20309 2/20 0.34
KAT6A Q92794 1/20 0.34
HAO1 Q9UJM8 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
SCHEMBL3871947 0.85 ACACB (0.39) FFAR1
SCHEMBL3872159 0.78 FFAR1 (0.50) FFAR1GRM5CHRNB4CHRNA3HAO1
SCHEMBL5500905 0.78 GRM5 (0.50) FFAR1GRM5ADORA2BCHRNB4CHRNA3
SCHEMBL16799926 0.77 POLB (0.45) NR3C1CA12CA1CA2CA9
SCHEMBL2232937 0.75 FFAR1 (0.56) FFAR1GRM5CHRM2CHRM1CHRM3
SCHEMBL18834037 0.75 GRM5 (0.52) FFAR1GRM5ADORA2BCHRM2CHRM1
SCHEMBL7010041 0.74 CHRM5 (0.45) NR3C1CHRM2CHRM1CHRM3
SCHEMBL3874608 0.74 FFAR1 (0.67) FFAR1GRM5KAT6AHAO1
SCHEMBL23015043 0.72 ALDH1A1 (0.46) FFAR1CA12CA1CA2CA9
SCHEMBL7007031 0.72 KIF11 (0.45) FFAR1CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7253192-B2 Phenyl derivatives comprising an acetylene group HOFFMANN-LA ROCHE INC. (US) 2007-08-07 US disclosed
EP-1765760-A1 PHENYL DERIVATIVES COMPRISING AN ACETYLENE GROUP F.HOFFMANN-LA ROCHE AG (CH) 2007-03-28 EP disclosed
WO-2006002802-A1 PHENYL DERIVATIVES COMPRISING AN ACETYLENE GROUP F. HOFFMANN-LA ROCHE AG (CH) 2006-01-12 WO disclosed
US-20060004091-A1 Phenyl derivatives comprising an acetylene group F. HOFFMANN-LA ROCHE AG (CH) 2006-01-05 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-20060004091-A1 Phenyl derivatives comprising an acetylene group PPARD, PPARA, PPARG FFAR1 40/4885GRM5 1372/4885NR3C1 240/4885

“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.