SCHEMBL4296607

SCHEMBL4296607

CCOc1cccc(-n2cc(C(=O)O)c(C(F)(F)F)n2)c1

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 13/20 0.68
NOTUM Q6P988 2/20 0.52
LMNA P02545 1/20 0.46
KLKB1 P03952 1/20 0.45
AURKA O14965 1/20 0.44

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
SCHEMBL4298281 0.88 DGAT1 (0.66) DGAT1NOTUMKLKB1
SCHEMBL4297940 0.88 DGAT1 (0.69) DGAT1AURKA
SCHEMBL13611568 0.81 DGAT1 (1.00) DGAT1
SCHEMBL408724 0.81 DGAT1 (0.46) DGAT1NOTUMLMNA
SCHEMBL4297549 0.81 DGAT1 (1.00) DGAT1
SCHEMBL408273 0.80 DGAT1 (0.54) DGAT1LMNA
SCHEMBL4486286 0.80 SMN1; SMN2 (0.52) DGAT1
SCHEMBL4570516 0.79 DGAT1 (0.90) DGAT1
SCHEMBL3829929 0.77 NOTUM (0.48) DGAT1NOTUM
SCHEMBL4435608 0.77 DGAT1 (0.81) DGAT1

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 DGAT1 3/4885NOTUM 498/4885LMNA 3831/4885

“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.