SCHEMBL4769790

SCHEMBL4769790

CC(C)Oc1ccc(N(Cc2cccc(Cl)c2Cl)S(C)(=O)=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
LMNA P02545 3/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 2/20 0.44
MAPT P10636 2/20 0.44
PER2 O15055 1/20 0.41
CRY1 Q16526 1/20 0.41
CRY2 Q49AN0 1/20 0.41
GAA P10253 1/20 0.39
BCL2L1 Q07817 1/20 0.39
MCL1 Q07820 1/20 0.39
POLB P06746 2/20 0.38
CNR2 P34972 1/20 0.38
RECQL P46063 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PGR P06401 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
SCHEMBL4777413 0.86 KDM4E (0.52) KDM4ELMNAALDH1A1HPGDMAPT
SCHEMBL4771201 0.83 LMNA (0.50) KDM4ELMNAALDH1A1MAPTCRY1
SCHEMBL4777553 0.82 ALDH1A1 (0.49) KDM4ELMNAALDH1A1MAPTPER2
SCHEMBL4773148 0.80 ALDH1A1 (0.56) LMNAALDH1A1HPGDGAAPOLB
SCHEMBL4772377 0.80 PNMT (0.47) KDM4ELMNAALDH1A1MAPTGAA
SCHEMBL4773540 0.80 GAA (0.43) KDM4ELMNAALDH1A1HPGDMAPT
SCHEMBL4775349 0.79 LMNA (0.41) KDM4ELMNAALDH1A1HPGDMAPT
SCHEMBL4777347 0.79 NR1H4 (0.39) LMNAALDH1A1MAPTGAAPOLB
SCHEMBL4777644 0.79 GAA (0.45) LMNAALDH1A1MAPTGAAPOLB
SCHEMBL4773541 0.78 GAA (0.42) KDM4ELMNAALDH1A1MAPTGAA

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 KDM4E 3267/4885LMNA 1022/4885ALDH1A1 2159/4885

“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.