SCHEMBL5041946

SCHEMBL5041946

CCOC(C(=O)NCc1ccc(C#N)cc1-c1ccccc1)c1ccc(OC)cc1F

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DGAT2 Q96PD7 5/20 0.42
TAS1R3 Q7RTX0 2/20 0.40
TAS1R1 Q7RTX1 2/20 0.40
TRPV1 Q8NER1 1/20 0.38
EED O75530 1/20 0.38
PDE10A Q9Y233 1/20 0.38
FNTA P49354 4/20 0.37
FNTB P49356 4/20 0.37
PDCD1 Q15116 2/20 0.37
CD274 Q9NZQ7 2/20 0.37
PGGT1B P53609 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
DHODH Q02127 1/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 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
SCHEMBL5041948 1.00 DGAT2 (0.42) DGAT2TAS1R3TAS1R1TRPV1EED
SCHEMBL5040473 0.88 DGAT2 (0.38) DGAT2
SCHEMBL5040465 0.88 DGAT2 (0.38) DGAT2
SCHEMBL5040702 0.87 HTR2A (0.38) DGAT2TAS1R3TAS1R1
SCHEMBL5040698 0.87 HTR2A (0.38) DGAT2TAS1R3TAS1R1
SCHEMBL5037335 0.87 MAPK8 (0.40) DGAT2TAS1R3TAS1R1
SCHEMBL5037337 0.87 MAPK8 (0.40) DGAT2TAS1R3TAS1R1
SCHEMBL5042577 0.87 GPR6 (0.38) DGAT2
SCHEMBL5041306 0.86 MAPK8 (0.42) DGAT2
SCHEMBL5042078 0.86 P2RX7 (0.41) DGAT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1567498-B1 MANDELIC ACID DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-01-23 EP disclosed
US-7129238-B2 Mandelic acid derivatives HOFFMANN-LA ROCHE INC. (US) 2006-10-31 US disclosed
EP-1567498-A2 MANDELIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-08-31 EP disclosed
US-20040122057-A1 Novel mandelic acid derivatives HOFFMANN-LA ROCHE INC. 2004-06-24 US disclosed
WO-2004048335-A2 MANDELIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-06-10 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-20040122057-A1 Novel mandelic acid derivatives F7, F11, F9 DGAT2 4787/4885TAS1R3 218/4885TAS1R1 62/4885

“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.