SCHEMBL3584989

SCHEMBL3584989

COC(=O)c1ccc(C#CC(C)(C)C)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.42
GAA P10253 3/20 0.40
PDK2 Q15119 2/20 0.39
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 4/20 0.39
HPGD P15428 3/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPY1R P25929 1/20 0.39
NPY2R P49146 1/20 0.39
RAB9A P51151 1/20 0.39
PTPN11 Q06124 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
PDK4 Q16654 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38

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
SCHEMBL13543962 0.85 CYP4F2 (0.44) KDM4ECA12CA1CA2CA7
SCHEMBL10411246 0.84 ABL1 (0.46) ABL1GAAPDK2KDM4EALDH1A1
SCHEMBL3578291 0.84 KDM4E (0.41) GAAPDK2KDM4EALDH1A1HPGD
SCHEMBL3582312 0.84 CFTR (0.40) ABL1GAAPDK2KDM4EALDH1A1
SCHEMBL3584639 0.83 TSHR (0.49) ALDH1A1LMNASMN1; SMN2PTPN11CA12
SCHEMBL13543958 0.83 HAO1 (0.34) PDK2MAPTSMN1; SMN2PTPN11PDK4
SCHEMBL15957581 0.81 PTPN11 (0.42) GAAPDK2KDM4EALDH1A1HPGD
SCHEMBL2335866 0.79 ABL1 (0.42) ABL1GAAPDK2KDM4EALDH1A1
SCHEMBL16956211 0.78 ABL1 (0.46) ABL1GAAPDK2KDM4EALDH1A1
SCHEMBL2333339 0.78 ABL1 (0.46) ABL1GAAPDK2KDM4EALDH1A1

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 10 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-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
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 ABL1 3103/4885GAA 3364/4885PDK2 1472/4885
US-20060194801-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same TRPV1, TRPA1, TRPV2 ABL1 3092/4885GAA 3448/4885PDK2 1657/4885
US-20080300243-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same TRPV1, TRPA1, TRPV2 ABL1 3092/4885GAA 3448/4885PDK2 1657/4885

“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.