SCHEMBL4776602

SCHEMBL4776602

Cc1cc(C(=O)NCc2ccc(C(F)(F)F)nc2)ccc1NS(=O)(=O)CCc1cccc(Cl)c1Cl

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DGAT2 Q96PD7 1/20 0.44
ITK Q08881 2/20 0.41
MAPT P10636 3/20 0.41
SCN3A Q9NY46 3/20 0.40
TP53 P04637 1/20 0.40
RORC P51449 2/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
PPARD Q03181 1/20 0.39
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
EPHX2 P34913 1/20 0.37
NR1H4 Q96RI1 1/20 0.37
LMNA P02545 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
NAMPT P43490 1/20 0.36
DDR1 Q08345 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
SCHEMBL4775016 0.93 DGAT2 (0.46) DGAT2ITKMAPTSCN3ATP53
SCHEMBL4775223 0.91 DGAT2 (0.47) DGAT2ITKMAPTSCN3ATP53
SCHEMBL4767775 0.90 ROCK2 (0.47) DGAT2ITKMAPTSCN3ARORC
SCHEMBL4767854 0.87 MAPT (0.46) DGAT2ITKMAPTSCN3ATP53
SCHEMBL4776574 0.84 P2RX7 (0.42) DGAT2TRPV1NAMPT
SCHEMBL5572196 0.84 PPARA (0.42) DGAT2ITKMAPTSCN3AMEN1
SCHEMBL4776751 0.80 P2RX7 (0.41) DGAT2MAPTMEN1KMT2ANPSR1
SCHEMBL4768151 0.80 MAPT (0.49) DGAT2ITKMAPTSCN3ATP53
SCHEMBL4776605 0.80 GAA (0.47) DGAT2ITKMAPTSCN3ATP53
SCHEMBL4776657 0.79 LMNA (0.41) MAPTLMNAROCK2ROCK1NAMPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070135435-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-06-14 US 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 DGAT2 3173/4885ITK 4081/4885MAPT 294/4885

“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.