SCHEMBL3578085

SCHEMBL3578085

O=C(O)c1ccc(/C=C/C(F)(F)F)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.49
CASP1 P29466 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PTPN1 P18031 4/20 0.41
PTPN2 P17706 1/20 0.41
PTPN6 P29350 1/20 0.41
MYC P01106 1/20 0.40
NR4A1 P22736 1/20 0.40
PDK2 Q15119 1/20 0.39
ALDH1A1 P00352 3/20 0.39
HNF4A P41235 1/20 0.38
DHODH Q02127 1/20 0.38
PTGS2 P35354 1/20 0.37
TP53 P04637 1/20 0.37
ITGB2 P05107 1/20 0.36
ICAM1 P05362 1/20 0.36
ITGAL P20701 1/20 0.36
BCL2L1 Q07817 1/20 0.36
BAD Q92934 1/20 0.36
KDM4E B2RXH2 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
SCHEMBL3578088 1.00 TSHR (0.49) TSHRCASP1SMN1; SMN2PTPN1PTPN2
SCHEMBL3579605 0.82 PIM1 (0.43) PTPN1PTPN2PTPN6ALDH1A1HNF4A
SCHEMBL3595954 0.82 PIM1 (0.43) PTPN1PTPN2PTPN6ALDH1A1HNF4A
SCHEMBL3579606 0.82 PIM1 (0.43) PTPN1PTPN2PTPN6ALDH1A1HNF4A
SCHEMBL27544134 0.82 PTPN1 (0.63) TSHRPTPN1PTPN2PTPN6ALDH1A1
SCHEMBL3577550 0.81 RXRB (0.48) PTPN1PTPN2PTPN6ALDH1A1HNF4A
SCHEMBL5165719 0.81 RXRB (0.48) PTPN1PTPN2PTPN6ALDH1A1HNF4A
SCHEMBL3577552 0.81 RXRB (0.48) PTPN1PTPN2PTPN6ALDH1A1HNF4A
SCHEMBL1164171 0.78 TSHR (0.57) TSHRCASP1SMN1; SMN2PTPN1PTPN2
SCHEMBL3583730 0.77 ALDH1A1 (0.50) SMN1; SMN2PTPN1PTPN2PTPN6ALDH1A1

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 11 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-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-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-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-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
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
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
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 TSHR 2959/4885CASP1 356/4885SMN1; SMN2 2207/4885
US-20060194801-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same TRPV1, TRPA1, TRPV2 TSHR 2775/4885CASP1 400/4885SMN1; SMN2 2392/4885
US-20080300243-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same TRPV1, TRPA1, TRPV2 TSHR 2775/4885CASP1 400/4885SMN1; SMN2 2392/4885

“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.