SCHEMBL3579606

SCHEMBL3579606

O=C(O)c1ccc(C=CC(F)(F)F)cc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.43
PTPN1 P18031 5/20 0.42
PTPN2 P17706 2/20 0.42
PTPN6 P29350 2/20 0.42
BCL2L1 Q07817 1/20 0.40
BAD Q92934 1/20 0.40
HNF4A P41235 1/20 0.39
PTGS2 P35354 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TUBB1 Q9H4B7 1/20 0.36
EPHX2 P34913 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
LCK P06239 1/20 0.36
RARB P10826 2/20 0.35
RARA P10276 1/20 0.35
RARG P13631 1/20 0.35
TRPA1 O75762 1/20 0.35

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
SCHEMBL3579605 1.00 PIM1 (0.43) PIM1PTPN1PTPN2PTPN6BCL2L1
SCHEMBL3595954 1.00 PIM1 (0.43) PIM1PTPN1PTPN2PTPN6BCL2L1
SCHEMBL27544134 0.83 PTPN1 (0.63) PIM1PTPN1PTPN2PTPN6HNF4A
SCHEMBL3577550 0.82 RXRB (0.48) PTPN1PTPN2PTPN6BCL2L1BAD
SCHEMBL3578085 0.82 TSHR (0.49) PTPN1PTPN2PTPN6BCL2L1BAD
SCHEMBL3578088 0.82 TSHR (0.49) PTPN1PTPN2PTPN6BCL2L1BAD
SCHEMBL5165719 0.82 RXRB (0.48) PTPN1PTPN2PTPN6BCL2L1BAD
SCHEMBL3577552 0.82 RXRB (0.48) PTPN1PTPN2PTPN6BCL2L1BAD
SCHEMBL23242521 0.79 PTPN1 (0.45) PIM1PTPN1PTPN2PTPN6BCL2L1
SCHEMBL23242522 0.79 PTPN1 (0.45) PIM1PTPN1PTPN2PTPN6BCL2L1

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 PIM1 4498/4885PTPN1 2094/4885PTPN2 2103/4885
US-20060194801-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same TRPV1, TRPA1, TRPV2 PIM1 4535/4885PTPN1 2103/4885PTPN2 1968/4885
US-20080300243-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same TRPV1, TRPA1, TRPV2 PIM1 4535/4885PTPN1 2103/4885PTPN2 1968/4885

“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.