SCHEMBL4289342

SCHEMBL4289342

O=C(NCCNC(=O)c1cn(S(=O)(=O)c2ccccc2)c2ccccc12)c1ccc(OCC(F)(F)F)nc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TNFSF11 O14788 2/20 0.61
DGAT1 O75907 4/20 0.59
TNF P01375 3/20 0.56
EPHX2 P34913 6/20 0.55
PLK1 P53350 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
CYP2J2 P51589 1/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
POLB P06746 1/20 0.42
MAPK1 P28482 1/20 0.42
TRPV1 Q8NER1 1/20 0.42

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
SCHEMBL4291779 0.86 DGAT1 (0.67) DGAT1TNFEPHX2CYP2C9CYP2C19
SCHEMBL4294183 0.84 DGAT1 (0.61) DGAT1EPHX2CYP2C9CYP2C19CYP2J2
SCHEMBL4295259 0.83 DGAT1 (0.61) DGAT1EPHX2CYP2C9CYP2C19CYP2J2
SCHEMBL13611480 0.82 DGAT1 (0.65) DGAT1EPHX2CYP2C9CYP2C19CYP2J2
SCHEMBL4302935 0.75 DGAT1 (0.62) DGAT1EPHX2CYP2C9CYP2C19CYP2J2
SCHEMBL4300137 0.74 TRPV1 (0.60) DGAT1EPHX2CYP2C9CYP2C19CYP2J2
SCHEMBL4406451 0.74 DGAT1 (0.52) DGAT1TNFEPHX2CYP2C9CYP2C19
SCHEMBL4298316 0.74 DGAT1 (1.00) DGAT1EPHX2CYP2C9CYP2C19CYP2J2
SCHEMBL4301665 0.74 DGAT1 (0.58) DGAT1EPHX2CYP2C9CYP2C19CYP2J2
SCHEMBL4300131 0.73 DGAT1 (0.81) DGAT1EPHX2CYP2C9CYP2C19CYP2J2

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-20090286791-A1 Amide Compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-19 US disclosed
US-20090286791-A1 Amide Compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-19 US disclosed
US-20090286791-A1 Amide Compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-19 US disclosed
WO-2008011131-A2 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-24 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-20090286791-A1 Amide Compounds DLAT, DGAT2, DGAT1 TNFSF11 4613/4885DGAT1 3/4885TNF 4277/4885

“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.