SCHEMBL4776622

SCHEMBL4776622

CNC(=O)NCCCS(=O)(=O)N(Cc1cccc(Cl)c1Cl)c1ccc(C(=O)NCc2ccc(C(=O)N(C)C)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
EPHX2 P34913 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
LMNA P02545 5/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.37
CA2 P00918 1/20 0.37
NAMPT P43490 5/20 0.36
KDM4E B2RXH2 2/20 0.36
HTT P42858 1/20 0.36
HDAC6 Q9UBN7 2/20 0.35
HDAC1 Q13547 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
SCHEMBL5572009 0.91 GAA (0.44) GAAEPHX2NR1H4LMNAALDH1A1
SCHEMBL5571908 0.90 GAA (0.43) GAAEPHX2NR1H4LMNAALDH1A1
SCHEMBL4773019 0.89 GAA (0.46) GAAEPHX2NR1H4LMNAALDH1A1
SCHEMBL5568007 0.89 GAA (0.46) GAAEPHX2NR1H4LMNAALDH1A1
SCHEMBL4773604 0.84 GAA (0.45) GAALMNAMAPTSMN1; SMN2NAMPT
SCHEMBL4771094 0.82 GAA (0.60) GAALMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL4767748 0.79 GAA (0.52) GAALMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL4773014 0.79 GAA (0.52) GAALMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL4773349 0.79 GAA (0.51) GAALMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL4775048 0.77 GAA (0.70) GAAEPHX2NR1H4LMNAALDH1A1

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
EP-1942888-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-07-16 EP claimed
US-20070135435-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-06-14 US claimed
WO-2007056078-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-18 WO claimed
EP-1942888-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-07-16 EP disclosed
US-20070135435-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-06-14 US disclosed
WO-2007056078-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-18 WO 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 (1 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-20070135435-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 GAA 466/4885EPHX2 2831/4885NR1H4 2096/4885

“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.