SCHEMBL4767775

SCHEMBL4767775

COc1cc(C(=O)NCc2ccc(C(F)(F)F)nc2)ccc1NS(=O)(=O)CCc1cccc(Cl)c1Cl

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 9/20 0.47
ROCK1 Q13464 9/20 0.47
DGAT2 Q96PD7 1/20 0.43
LMNA P02545 1/20 0.40
ITK Q08881 1/20 0.40
RORC P51449 1/20 0.39
MAPT P10636 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SCN3A Q9NY46 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
SCHEMBL4775016 0.91 DGAT2 (0.46) DGAT2LMNAITKRORCMAPT
SCHEMBL4776602 0.90 DGAT2 (0.44) ROCK2ROCK1DGAT2LMNAITK
SCHEMBL4775223 0.89 DGAT2 (0.47) DGAT2LMNAITKRORCMAPT
SCHEMBL4776657 0.85 LMNA (0.41) ROCK2ROCK1LMNAMAPT
SCHEMBL4767854 0.85 MAPT (0.46) DGAT2LMNAITKMAPTALDH1A1
SCHEMBL4776574 0.82 P2RX7 (0.42) DGAT2
SCHEMBL4767780 0.81 ROCK2 (0.46) ROCK2ROCK1DGAT2LMNAMAPT
SCHEMBL5572196 0.79 PPARA (0.42) DGAT2LMNAITKMAPTALDH1A1
SCHEMBL4776751 0.79 P2RX7 (0.41) DGAT2LMNAMAPTNPSR1L3MBTL1
SCHEMBL4768151 0.78 MAPT (0.49) DGAT2ITKMAPTALDH1A1NPSR1

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 616/4885DGAT2 3173/4885

“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.