SCHEMBL3581218

SCHEMBL3581218

COC(=O)c1ccc(C=CC(C)(C)C)cc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.46
PTPN1 P18031 1/20 0.43
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 3/20 0.41
GAA P10253 2/20 0.41
HSD17B10 Q99714 2/20 0.41
GLA P06280 1/20 0.41
HPGD P15428 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
ATM Q13315 1/20 0.41
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
PDK2 Q15119 1/20 0.39
PDK4 Q16654 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39

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
SCHEMBL3581214 1.00 PTGS2 (0.46) PTGS2PTPN1KDM4EALDH1A1MAPT
SCHEMBL3583117 0.87 PTGS2 (0.44) PTGS2PTPN1KDM4EALDH1A1MAPT
SCHEMBL3583121 0.87 PTGS2 (0.44) PTGS2PTPN1KDM4EALDH1A1MAPT
SCHEMBL28763808 0.83 PTGS2 (0.49) PTGS2PTPN1KDM4EALDH1A1MAPT
SCHEMBL18432645 0.83 PTGS2 (0.49) PTGS2PTPN1KDM4EALDH1A1MAPT
SCHEMBL28763812 0.83 PTGS2 (0.49) PTGS2PTPN1KDM4EALDH1A1MAPT
SCHEMBL3581339 0.83 RXRB (0.46) PTGS2PTPN1KDM4EALDH1A1MAPT
SCHEMBL3581346 0.83 RXRB (0.46) PTGS2PTPN1KDM4EALDH1A1MAPT
SCHEMBL20523419 0.81 PTGS2 (0.48) PTGS2PTPN1KDM4EALDH1A1MAPT
SCHEMBL24861874 0.81 KDM4E (0.45) PTGS2PTPN1KDM4EALDH1A1MAPT

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 PTGS2 211/4885PTPN1 2094/4885KDM4E 4075/4885
US-20060194801-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same TRPV1, TRPA1, TRPV2 PTGS2 209/4885PTPN1 2103/4885KDM4E 4112/4885
US-20080300243-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same TRPV1, TRPA1, TRPV2 PTGS2 209/4885PTPN1 2103/4885KDM4E 4112/4885

“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.