SCHEMBL3577552

SCHEMBL3577552

Cc1cc(C=CC(F)(F)F)ccc1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRB P28702 2/20 0.48
RXRA P19793 1/20 0.48
PTPN1 P18031 4/20 0.41
PTPN2 P17706 1/20 0.41
PTPN6 P29350 1/20 0.41
HNF4A P41235 1/20 0.38
NFE2L2 Q16236 1/20 0.38
TTR P02766 1/20 0.38
PTGS2 P35354 2/20 0.37
ALDH1A1 P00352 2/20 0.37
ALOX5 P09917 1/20 0.37
PTGS1 P23219 1/20 0.37
NR1H4 Q96RI1 1/20 0.36
BCL2L1 Q07817 1/20 0.36
BAD Q92934 1/20 0.36
KDM4E B2RXH2 2/20 0.36
NOTUM Q6P988 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL3577550 1.00 RXRB (0.48) RXRBRXRAPTPN1PTPN2PTPN6
SCHEMBL5165719 1.00 RXRB (0.48) RXRBRXRAPTPN1PTPN2PTPN6
SCHEMBL3581346 0.85 RXRB (0.46) RXRBRXRAPTPN1PTPN2PTPN6
SCHEMBL3581339 0.85 RXRB (0.46) RXRBRXRAPTPN1PTPN2PTPN6
SCHEMBL3583117 0.83 PTGS2 (0.44) PTPN1PTGS2ALDH1A1KDM4ENOTUM
SCHEMBL3583121 0.83 PTGS2 (0.44) PTPN1PTGS2ALDH1A1KDM4ENOTUM
SCHEMBL3579605 0.82 PIM1 (0.43) PTPN1PTPN2PTPN6HNF4APTGS2
SCHEMBL3595954 0.82 PIM1 (0.43) PTPN1PTPN2PTPN6HNF4APTGS2
SCHEMBL15550168 0.82 PTGS1 (0.57) PTPN1PTPN2PTPN6HNF4ANFE2L2
SCHEMBL3579606 0.82 PIM1 (0.43) PTPN1PTPN2PTPN6HNF4APTGS2

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 RXRB 1363/4885RXRA 1295/4885PTPN1 2094/4885
US-20060194801-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same TRPV1, TRPA1, TRPV2 RXRB 1339/4885RXRA 1304/4885PTPN1 2103/4885
US-20080300243-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same TRPV1, TRPA1, TRPV2 RXRB 1339/4885RXRA 1304/4885PTPN1 2103/4885

“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.