SCHEMBL4767780

SCHEMBL4767780

COc1cc(C(=O)NCc2ccc(C(F)(F)F)nc2)ccc1N(Cc1cccc(Cl)c1Cl)S(C)(=O)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 7/20 0.46
ROCK1 Q13464 5/20 0.46
GAA P10253 1/20 0.46
DGAT2 Q96PD7 1/20 0.43
LMNA P02545 2/20 0.41
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
USP2 O75604 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 1/20 0.39
TP53 P04637 1/20 0.39
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39

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
SCHEMBL4775020 0.92 GAA (0.48) ROCK2ROCK1GAADGAT2LMNA
SCHEMBL4775232 0.91 GAA (0.47) GAADGAT2LMNAALDH1A1HPGD
SCHEMBL4776605 0.91 GAA (0.47) GAADGAT2LMNASMN1; SMN2NPSR1
SCHEMBL4767863 0.86 GAA (0.61) GAADGAT2LMNAALDH1A1HPGD
SCHEMBL4776659 0.86 GAA (0.45) ROCK2ROCK1GAALMNAHPGD
SCHEMBL4776579 0.84 GAA (0.42) GAADGAT2
SCHEMBL4767775 0.81 ROCK2 (0.47) ROCK2ROCK1DGAT2LMNAALDH1A1
SCHEMBL4776754 0.80 GAA (0.47) GAADGAT2LMNASMN1; SMN2
SCHEMBL4768157 0.80 GAA (0.70) GAADGAT2LMNAALDH1A1HPGD
SCHEMBL5572197 0.80 GAA (0.56) GAALMNAALDH1A1HPGDKMT2A

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 ROCK2 685/4885ROCK1 616/4885GAA 466/4885

“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.