SCHEMBL3583735

SCHEMBL3583735

COc1cc(C=CC(F)(F)F)ccc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
KDM4E B2RXH2 4/20 0.48
HPGD P15428 4/20 0.48
MAPK1 P28482 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
HSD17B10 Q99714 2/20 0.48
ALOX15 P16050 1/20 0.48
ABCG2 Q9UNQ0 2/20 0.46
APP P05067 1/20 0.46
PKM P14618 2/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA3 P07451 1/20 0.46
CSNK2A2 P19784 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
CA5A P35218 1/20 0.46
SNCA P37840 1/20 0.46
CA7 P43166 1/20 0.46

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
SCHEMBL3589606 1.00 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDMAPK1SMN1; SMN2
SCHEMBL3583730 1.00 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDMAPK1SMN1; SMN2
SCHEMBL3584872 0.87 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDMAPK1SMN1; SMN2
SCHEMBL3596647 0.87 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDMAPK1SMN1; SMN2
SCHEMBL30417825 0.87 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDMAPK1SMN1; SMN2
SCHEMBL3584869 0.87 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDMAPK1SMN1; SMN2
SCHEMBL3593346 0.85 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDMAPK1SMN1; SMN2
SCHEMBL3593352 0.83 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDMAPK1SMN1; SMN2
SCHEMBL3910762 0.80 KDM4E (0.73) ALDH1A1KDM4EHPGDMAPK1SMN1; SMN2
SCHEMBL5165719 0.80 RXRB (0.48) ALDH1A1KDM4EHPGDHSD17B10PTPN2

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 6 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
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
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 ALDH1A1 1265/4885KDM4E 4075/4885HPGD 510/4885
US-20060194801-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same TRPV1, TRPA1, TRPV2 ALDH1A1 1821/4885KDM4E 4112/4885HPGD 573/4885
US-20080300243-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same TRPV1, TRPA1, TRPV2 ALDH1A1 1821/4885KDM4E 4112/4885HPGD 573/4885

“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.