SCHEMBL5040465

SCHEMBL5040465

CCOC(C(=O)NCc1ccc(C#N)cc1O)c1ccc(OC)cc1F

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DGAT2 Q96PD7 1/20 0.38
MAPK8 P45983 2/20 0.37
MAPK9 P45984 2/20 0.37
MAPK10 P53779 2/20 0.37
GPR6 P46095 1/20 0.36
EPHX2 P34913 3/20 0.35
GSK3B P49841 1/20 0.34
F10 P00742 1/20 0.34
POLB P06746 2/20 0.34

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
SCHEMBL5040473 1.00 DGAT2 (0.38) DGAT2MAPK8MAPK9MAPK10GPR6
SCHEMBL5037337 0.92 MAPK8 (0.40) DGAT2MAPK8MAPK9MAPK10F10
SCHEMBL5037335 0.92 MAPK8 (0.40) DGAT2MAPK8MAPK9MAPK10F10
SCHEMBL5041306 0.91 MAPK8 (0.42) DGAT2MAPK8MAPK9MAPK10GPR6
SCHEMBL5042085 0.91 P2RX7 (0.41) DGAT2MAPK8MAPK9MAPK10EPHX2
SCHEMBL5042078 0.91 P2RX7 (0.41) DGAT2MAPK8MAPK9MAPK10EPHX2
SCHEMBL5042326 0.89 F10 (0.41) DGAT2GPR6GSK3BF10
SCHEMBL5042329 0.89 F10 (0.41) DGAT2GPR6GSK3BF10
SCHEMBL5041946 0.88 DGAT2 (0.42) DGAT2
SCHEMBL5045413 0.88 SMN1; SMN2 (0.38) DGAT2MAPK8MAPK9MAPK10GPR6

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 4787/4885MAPK8 794/4885MAPK9 442/4885

“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.