SCHEMBL3584639

SCHEMBL3584639

CC(C)(C)C#Cc1ccc(C(=O)O)c(Cl)c1

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
MYC P01106 1/20 0.43
NR4A1 P22736 1/20 0.43
AKR1C2 P52895 2/20 0.42
AKR1C1 Q04828 2/20 0.42
NR1H4 Q96RI1 1/20 0.40
HAO1 Q9UJM8 2/20 0.39
ALDH1A1 P00352 2/20 0.39
PTGES O14684 1/20 0.38
ALOX5 P09917 1/20 0.38
HNF4A P41235 1/20 0.38
TP53 P04637 1/20 0.37
EGLN1 Q9GZT9 1/20 0.36
PTPRC P08575 2/20 0.36
RARB P10826 1/20 0.36
RARG P13631 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 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
SCHEMBL13543958 0.87 HAO1 (0.34) TSHRCASP1SMN1; SMN2AKR1C2AKR1C1
SCHEMBL3584989 0.83 ABL1 (0.42) CASP1SMN1; SMN2NR1H4ALDH1A1CA12
SCHEMBL3578916 0.82 RXRB (0.46) MYCNR1H4HAO1ALDH1A1PTGES
SCHEMBL10411995 0.81 TSHR (0.57) TSHRCASP1SMN1; SMN2MYCNR4A1
SCHEMBL3592439 0.81 EPHX2 (0.41) NR1H4HAO1PTGESALOX5HNF4A
SCHEMBL13543962 0.80 CYP4F2 (0.44) TSHRCA12CA1CA2CA7
SCHEMBL3583603 0.79 ALDH1A1 (0.53) MYCHAO1ALDH1A1HNF4AEGLN1
SCHEMBL15808873 0.76 ALDH1A1 (0.47) SMN1; SMN2AKR1C2AKR1C1HAO1ALDH1A1
SCHEMBL22032230 0.75 TSHR (0.50) TSHRCASP1SMN1; SMN2MYCNR4A1
SCHEMBL508503 0.74 TSHR (0.57) TSHRCASP1SMN1; SMN2MYCNR4A1

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 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.