SCHEMBL4776659

SCHEMBL4776659

COc1cc(N(Cc2cccc(Cl)c2Cl)S(C)(=O)=O)ccc1C(=O)NCc1ccc(C(F)(F)F)nc1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.45
LMNA P02545 2/20 0.41
HPGD P15428 1/20 0.41
ROCK2 O75116 4/20 0.40
ROCK1 Q13464 4/20 0.40
MAPT P10636 1/20 0.40
P2RX7 Q99572 4/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
CNR2 P34972 1/20 0.38

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
SCHEMBL4776754 0.90 GAA (0.47) GAALMNAP2RX7SMN1; SMN2
SCHEMBL4767863 0.86 GAA (0.61) GAALMNAHPGDMAPTSMN1; SMN2
SCHEMBL4767780 0.86 ROCK2 (0.46) GAALMNAHPGDROCK2ROCK1
SCHEMBL4776579 0.83 GAA (0.42) GAAP2RX7
SCHEMBL4775020 0.82 GAA (0.48) GAALMNAHPGDROCK2ROCK1
SCHEMBL4776657 0.81 LMNA (0.41) LMNAHPGDROCK2ROCK1MAPT
SCHEMBL4776605 0.79 GAA (0.47) GAALMNAMAPTSMN1; SMN2
SCHEMBL4775232 0.79 GAA (0.47) GAALMNAHPGDMAPTP2RX7
SCHEMBL4768157 0.79 GAA (0.70) GAALMNAHPGDMAPTSMN1; SMN2
SCHEMBL5572197 0.79 GAA (0.56) GAALMNAHPGDPOLBSMN1; SMN2

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 466/4885LMNA 1022/4885HPGD 2681/4885

“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.