SCHEMBL4777534

SCHEMBL4777534

CC(C)(C)OC(=O)N1CCC(NC(=O)c2ccc(N(Cc3cccc(Cl)c3Cl)S(C)(=O)=O)cc2)C1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 8/20 0.52
ALDH1A1 P00352 1/20 0.47
HDAC4 P56524 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
DGAT2 Q96PD7 2/20 0.45
ANO1 Q5XXA6 1/20 0.44
STS P08842 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PARP1 P09874 1/20 0.42
REN P00797 1/20 0.41

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
SCHEMBL4777708 0.88 MEN1 (0.49) ALDH1A1MEN1KMT2A
SCHEMBL5567967 0.86 KDM4E (0.58) ALDH1A1STS
SCHEMBL5571955 0.85 ACKR3 (0.49) ALDH1A1KMT2A
SCHEMBL5571649 0.82 ALDH1A1 (0.47) ALDH1A1
SCHEMBL4773589 0.82 RECQL (0.52) ALDH1A1STSMEN1KMT2AREN
SCHEMBL4768022 0.82 STS (0.50) ALDH1A1STSMEN1KMT2A
SCHEMBL5567930 0.82 STS (0.44) USP30ALDH1A1STSMEN1KMT2A
SCHEMBL5572116 0.79 ALDH1A1 (0.42) ALDH1A1STSMEN1KMT2AREN
SCHEMBL14497661 0.79 KDM4E (0.62) ALDH1A1STSMEN1KMT2A
SCHEMBL4776454 0.79 ALDH1A1 (0.46) ALDH1A1HDAC6MEN1KMT2AREN

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 USP30 2683/4885ALDH1A1 2159/4885HDAC4 756/4885

“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.