SCHEMBL3874608

SCHEMBL3874608

O=C(O)CCC#Cc1cccc(OC(F)(F)F)c1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 8/20 0.67
FFAR4 Q5NUL3 4/20 0.44
GRM5 P41594 1/20 0.43
HAO1 Q9UJM8 3/20 0.42
CYP2C9 P11712 1/20 0.42
SCN5A Q14524 1/20 0.42
ALOX5 P09917 1/20 0.41
MME P08473 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.40
KAT6A Q92794 1/20 0.40

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
SCHEMBL3877946 0.83 FFAR1 (0.55) FFAR1FFAR4HAO1ALOX5MRGPRX4
SCHEMBL3874682 0.83 FFAR1 (0.52) FFAR1FFAR4CYP2C9SCN5AMRGPRX4
SCHEMBL3872159 0.81 FFAR1 (0.50) FFAR1GRM5HAO1
SCHEMBL5500905 0.80 GRM5 (0.50) FFAR1GRM5HAO1
SCHEMBL81119 0.80 FFAR1 (0.54) FFAR1GRM5HAO1ALOX5MRGPRX4
SCHEMBL2232937 0.77 FFAR1 (0.56) FFAR1GRM5MRGPRX4
SCHEMBL18834037 0.77 GRM5 (0.52) FFAR1GRM5HAO1
SCHEMBL25175773 0.74 FFAR1 (0.42) FFAR1FFAR4HAO1ALOX5
SCHEMBL561059 0.74 FFAR1 (0.62) FFAR1FFAR4CYP2C9
SCHEMBL6694265 0.74 FFAR1 (0.62) FFAR1FFAR4

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-1781608-B1 INDOLE DERIVATIVES COMPRISING AN ACETYLENE GROUP AS PPAR ACTIVATORS HOFFMANN LA ROCHE (CH) 2009-10-21 EP disclosed
US-7405236-B2 Indole derivatives comprising an acetylene group HOFFMAN-LA ROCHE INC. (US) 2008-07-29 US disclosed
EP-1781608-A1 INDOLE DERIVATIVES COMPRISING AN ACETYLENE GROUP AS PPAR ACTIVATORS F.HOFFMANN-LA ROCHE AG (CH) 2007-05-09 EP disclosed
WO-2006018174-A1 INDOLE DERIVATIVES COMPRISING AN ACETYLENE GROUP AS PPAR ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2006-02-23 WO disclosed
US-20060035956-A1 e.g. {6-[5-(4-trifluoromethoxy-phenyl)-pent-4-ynyloxy]-indol-1-yl}-acetic acid; peroxisome proliferator activated receptor PPAR delta or PPAR alpha agonist; antidiabetic, antiinflammatory agent, cardiovascular disorders; non-insulin dependent diabetes, insulin resistance, atherosclerosis HOFFMANN-LA ROCHE INC. 2006-02-16 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-20060035956-A1 e.g. {6-[5-(4-trifluoromethoxy-phenyl)-pent-4-ynyloxy]-indol-1-yl}-acetic acid; peroxisome proliferator activated receptor PPAR delta or PPAR alpha agonist; antidiabetic, antiinflammatory agent, cardiovascular disorders; non-insulin dependent diabetes, insulin resistance, atherosclerosis PPARD, PPARG, PPARA FFAR1 5/4885FFAR4 9/4885GRM5 584/4885

“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.