SCHEMBL3586641

SCHEMBL3586641

CS(=O)(=O)c1cc(C#CC2CC2)ccc1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.43
TBK1 Q9UHD2 1/20 0.42
FFAR4 Q5NUL3 2/20 0.38
HAO1 Q9UJM8 2/20 0.38
ALDH2 P05091 1/20 0.36
PTGES O14684 1/20 0.36
EGLN1 Q9GZT9 1/20 0.35
NR1H2 P55055 1/20 0.34
LMNA P02545 1/20 0.34
HNF4A P41235 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
SCHEMBL13543964 0.95 FFAR1 (0.45) FFAR1TBK1FFAR4HAO1PTGES
SCHEMBL3596382 0.85 NR1H2 (0.40) FFAR1ALDH2PTGESNR1H2
SCHEMBL3588327 0.80 FFAR1 (0.47) FFAR1TBK1FFAR4HAO1PTGES
SCHEMBL3581884 0.77 TSHR (0.47) FFAR1TBK1FFAR4HAO1EGLN1
SCHEMBL3586491 0.77 FFAR1 (0.50) FFAR1TBK1FFAR4HAO1PTGES
SCHEMBL15758160 0.76 XDH (0.44) LMNA
SCHEMBL3586220 0.74 FFAR1 (0.49) FFAR1TBK1FFAR4HAO1PTGES
SCHEMBL15808907 0.74 ALDH1A1 (0.47) FFAR1TBK1FFAR4HAO1PTGES
SCHEMBL4489477 0.71 FFAR1 (0.52) FFAR1TBK1FFAR4HAO1PTGES
SCHEMBL3591133 0.71 ALDH1A1 (0.48) LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100004222-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same RENOVIS, INC. (US) 2010-01-07 US disclosed
US-7576099-B2 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same RENOVIS, INC. (US) 2009-08-18 US disclosed
US-20080300243-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same RENOVIS, INC. 2008-12-04 US disclosed
EP-1954132-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME Renovis, Inc. (US) 2008-08-13 EP disclosed
EP-1853269-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME Renovis, Inc. (US) 2007-11-14 EP disclosed
WO-2007100758-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2007-09-07 WO disclosed
WO-2006093832-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2006-09-08 WO disclosed
US-20060194801-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same EVOTEC AG (DE) 2006-08-31 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 (3 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-20100004222-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same TRPV1, TRPA1, TRPV2 FFAR1 223/4885TBK1 1790/4885FFAR4 237/4885
US-20060194801-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same TRPV1, TRPA1, TRPV2 FFAR1 243/4885TBK1 1527/4885FFAR4 257/4885
US-20080300243-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same TRPV1, TRPA1, TRPV2 FFAR1 243/4885TBK1 1527/4885FFAR4 257/4885

“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.